Pivalate

Pivalate

SCHEMBL653179

CC(C)(C)C(=O)[O-].CC(C)(C)C(=O)[O-].CC(C)(C)C(=O)[O-].CC1C([Zr+3])=Cc2ccccc21

nearest known ligand 0.33

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.33
CCL2 P13500 1/20 0.33
LMNA P02545 1/20 0.33
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
NOTUM Q6P988 1/20 0.30
HBB P68871 1/20 0.30
HSD17B10 Q99714 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Pivalate SCHEMBL29574099 1.00 BRD4 (0.33) BRD4CCL2LMNAALDH1A1SMN1; SMN2
Benzoic Acid SCHEMBL7262963 0.82 CA2 (0.46) BRD4CCL2LMNAALDH1A1SMN1; SMN2
Fluoride Ion SCHEMBL1130940 0.81 DRD2 (0.39) BRD4CCL2DRD2DRD4
Hydrochloric Acid SCHEMBL8665926 0.81 DRD2 (0.39) BRD4CCL2DRD2DRD4
Pivalate SCHEMBL3910093 0.76 LMNA (0.36) LMNAALDH1A1SMN1; SMN2TDP1HBB
Pivalate SCHEMBL29574882 0.73 MEN1 (0.34) BRD4CCL2LMNAALDH1A1TDP1
Pivalate SCHEMBL650158 0.73 MEN1 (0.34) BRD4CCL2LMNAALDH1A1TDP1
Pivalate SCHEMBL7596893 0.70 ALDH1A1 (0.34) BRD4CCL2LMNAALDH1A1SMN1; SMN2
SCHEMBL3312303 0.66 BRD4 (0.39) BRD4CCL2LMNAALDH1A1SMN1; SMN2
SCHEMBL7006425 0.65 BRD4 (0.38) BRD4CCL2LMNAALDH1A1SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 75 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0961784-B1 IMPROVED CONTROL OF SOLUTION CATALYST DROPLET SIZE WITH AN EFFERVESCENT SPRAY NOZZLE UNION CARBIDE CHEM PLASTIC (US) 2002-10-23 EP claimed
EP-2018389-B1 HAFNIUM COMPLEXES OF CARBAZOLYL SUBSTITUTED IMIDAZOLE LIGANDS DOW GLOBAL TECHNOLOGIES LLC (US) 2016-03-09 EP disclosed
EP-2018390-B1 ORTHO-METALLATED HAFNIUM COMPLEXES OF IMIDAZOLE LIGANDS DOW GLOBAL TECHNOLOGIES LLC (US) 2016-03-09 EP disclosed
EP-2021381-B1 HAFNIUM COMPLEXES OF HETEROCYCLIC ORGANIC LIGANDS DOW GLOBAL TECHNOLOGIES LLC (US) 2015-12-23 EP disclosed
US-9181368-B2 High activity, low molecular weight olefin polymerization process DOW GLOBAL TECHNOLOGIES LLC (US) 2015-11-10 US disclosed
US-20140066585-A1 HIGH ACTIVITY, LOW MOLECULAR WEIGHT OLEFIN POLYMERIZATION PROCESS DOW GLOBAL TECHNOLOGIES LLC (US) 2014-03-06 US disclosed
US-8604145-B2 High activity, low molecular weight olefin polymerization process DOW GLOBAL TECHNOLOGIES, LLC (US) 2013-12-10 US disclosed
US-8580976-B2 Process for preparing A 2-substituted benzofuran-3-yl borate ester DOW GLOBAL TECHNOLOGIES, LLC (US) 2013-11-12 US disclosed
US-20130102795-A1 HAFNIUM COMPLEXES OF HETEROCYCLIC ORGANIC LIGANDS DOW GLOBAL TECHNOLOGIES LLC (US) 2013-04-25 US disclosed
US-20130102789-A1 HAFNIUM COMPLEXES OF HETEROCYCLIC ORGANIC LIGANDS DOW GLOBAL TECHNOLOGIES LLC (US) 2013-04-25 US disclosed
EP-1054025-A1 Method for controlling molecular weight and molecular weight distribution in polymers produced using a single site catalyst UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 2000-11-22 EP disclosed
EP-1054024-A1 Inert particulate material passivation for single-site catalyst in EPDM production UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 2000-11-22 EP disclosed
US-6136747-A SOLID ZIEGLER-NATTA CATALYST; A LIQUID SINGLE SITE CATALYST; AND AT LEAST ONE ACTIVATING COCATALYST IS PROVIDED. POLYMERS HAVING A BROAD OR BIMODAL MOLECULAR WEIGHT DISTRIBUTION MAY BE MADE UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 2000-10-24 US disclosed
WO-2000002930-A1 A CATALYST COMPOSITION AND METHODS FOR ITS PREPARATION AND USE IN A POLYMERIZATION PROCESS UNIVATION TECHNOLOGIES LLC (US) 2000-01-20 WO disclosed
WO-2000002931-A1 A CATALYST COMPOSITION AND METHODS FOR ITS PREPARATION AND USE IN A POLYMERIZATION PROCESS UNIVATION TECHNOLOGIES LLC (US) 2000-01-20 WO disclosed
EP-0965601-A1 Mixed catalyst composition for the production of olefin polymers UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1999-12-22 EP disclosed
EP-0952996-A1 METHOD OF CONTROLLING OLEFIN POLYMERIZATION CATALYST COMPOSITION ACTIVITY UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1999-11-03 EP disclosed
EP-0942009-A2 Reduced sheeting in single-site and single-site like polymerization by employing a chromium containing compound UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (a Delaware corporation) (US) 1999-09-15 EP disclosed
US-5912202-A CONTACTING OUTSIDE OF POLYMERIZATION REACTOR A SINGLE SITE CATALYST PRECURSOR WITH AN ACTIVATING COCATALYST BEFORE, DURING, OR AFTER CONTACTING THE SINGLE SITE CATALYST PRECURSOR WITH A WEAKLY COORDINATING ELECTRON DONOR SUCH AS 1-HEXENE UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1999-06-15 US disclosed
WO-1998030608-A1 METHOD OF CONTROLLING OLEFIN POLYMERIZATION CATALYST COMPOSITION ACTIVITY UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1998-07-16 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130102795-A1 HAFNIUM COMPLEXES OF HETEROCYCLIC ORGANIC LIGANDS HACL2, MIA3, HAO2 BRD4 1093/4885CCL2 591/4885LMNA 3120/4885
US-20130102789-A1 HAFNIUM COMPLEXES OF HETEROCYCLIC ORGANIC LIGANDS HACL2, MIA3, HAO2 BRD4 1093/4885CCL2 591/4885LMNA 3120/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.