Pivalate

Pivalate

SCHEMBL5680201

CC(C)(C)C(=O)O.CCCC[N+](CCCC)(CCCC)Cc1ccc(OC)cc1

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.42
HTT P42858 1/20 0.42
LDHA P00338 1/20 0.42
CTBP2 P56545 1/20 0.41
USP2 O75604 1/20 0.40
TP53 P04637 1/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
EGFR P00533 1/20 0.39
ERBB2 P04626 1/20 0.39

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 SCHEMBL5675628 0.90 CTSK (0.41) CTSKHTTLDHAEGFR
SCHEMBL5679280 0.87 IDO1 (0.44) HTTUSP2TP53
SCHEMBL28712476 0.81 ALDH1A1 (0.44) CTSKHTT
Pivalate SCHEMBL28335975 0.75 KDM4E (0.62) KDM4E
SCHEMBL9409911 0.74 SLC22A1 (0.52) HTTTP53
Bicarbonate SCHEMBL28308089 0.74 DNM1 (0.51) HTTTP53POLB
Tetrabuthylammonium SCHEMBL2354515 0.73 SLC22A1 (0.57) TP53
Pivalate SCHEMBL18797178 0.72 MAOB (0.54) HTTLDHACTBP2POLB
Oxalic Acid SCHEMBL27769825 0.72 DNM1 (0.50) HTTTP53POLB
SCHEMBL26357051 0.71 SLC22A1 (0.37) HTTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7001973-B2 Catalyst and process for preparing low-viscosity and color-reduced polyisocyanates containing isocyanurate groups DEGUSSA AG (DE) 2006-02-21 US claimed
EP-1229016-B1 Catalyst and process for the preparation of isocyanate groups containing polyisocyanates with low viscosity and reduced colour DEGUSSA (DE) 2006-01-11 EP claimed
US-12594700-B2 Coatings from polyisocyanurate coatings (rim) and their use in injection molding processes COVESTRO DEUTSCHLAND AG (DE) 2026-04-07 US disclosed
US-20250388778-A1 POLYISOCYANATE MIXTURE COVESTRO DEUTSCHLAND AG (DE) 2025-12-25 US disclosed
US-12492281-B2 Polyisocyanurate materials as electrical potting compounds COVESTRO DEUTSCHLAND AG (DE) 2025-12-09 US disclosed
EP-4551634-A1 POLYISOCYANATE MIXTURE Covestro Deutschland AG (DE) 2025-05-14 EP disclosed
EP-3688050-B1 TWO-COMPONENT SYSTEM FOR ELASTIC COATINGS COVESTRO DEUTSCHLAND AG (DE) 2025-03-26 EP disclosed
US-12247144-B2 Anhydrously curing polyisocyanate-based adhesives COVESTRO DEUTSCHLAND AG (DE) 2025-03-11 US disclosed
US-12157790-B2 Composite materials based on dual-cure urethane polymers and dual-cure isocyanurate polymers COVESTRO INTELLECTUAL PROPERTY GMBH & CO. KG (DE) 2024-12-03 US disclosed
EP-3601405-B1 GENERATION OF POLYISOCYANURATE LAYERS THROUGH SEPARATE APPLICATION OF ISOCYANATE COMPONENTS AND CATALYSTS COVESTRO DEUTSCHLAND AG (DE) 2024-08-28 EP disclosed
EP-3743449-B1 SEMI-FINISHED PRODUCTS BASED ON DUAL CROSS-LINKING MECHANISM COVESTRO DEUTSCHLAND AG (DE) 2024-04-17 EP disclosed
EP-3286242-A1 POLYISOCYANURATE PLASTICS HAVING HIGH THERMAL STABILITY Covestro Deutschland AG (DE) 2018-02-28 EP disclosed
EP-3286244-A1 POLYISOCYANURATE POLYMERS AND PROCESS FOR THE PRODUCTION OF POLYISOCYANURATE POLYMERS Covestro Deutschland AG (DE) 2018-02-28 EP disclosed
WO-2016170061-A1 POLYISOCYANURATE PLASTICS HAVING HIGH THERMAL STABILITY COVESTRO DEUTSCHLAND AG (DE) 2016-10-27 WO disclosed
WO-2016170060-A1 PROCESS FOR PRODUCING POLYISOCVANURATE PLASTICS HAVING FUNCTIONALIZED SURFACES COVESTRO DEUTSCHLAND AG (DE) 2016-10-27 WO disclosed
WO-2016170059-A1 POLYISOCYANURATE POLYMERS AND PROCESS FOR THE PRODUCTION OF POLYISOCYANURATE POLYMERS COVESTRO DEUTSCHLAND AG (DE) 2016-10-27 WO disclosed
US-7001973-B2 Catalyst and process for preparing low-viscosity and color-reduced polyisocyanates containing isocyanurate groups DEGUSSA AG (DE) 2006-02-21 US disclosed
US-20030187178-A1 Catalyst and process for preparing low-viscosity and color-reduced polyisocyanates containing isocyanurate groups DEGUSSA AG (DE) 2003-10-02 US disclosed
US-6613863-B2 Benzyltrialkylammonium carboxylate isocyanate trimerization catalysts DEGUSSA AG (DE) 2003-09-02 US disclosed
US-20020120089-A1 Catalyst and process for preparing low-viscosity and color-reduced polyisocyanates containing isocyanurate groups DEGUSSA AG (DE) 2002-08-29 US 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-20250388778-A1 POLYISOCYANATE MIXTURE IPO11, IPO5, ALKBH1 CTSK 4880/4885HTT 1351/4885LDHA 3702/4885
US-12594700-B2 Coatings from polyisocyanurate coatings (rim) and their use in injection molding processes TST, C9, ESD CTSK 4861/4885HTT 1569/4885LDHA 4145/4885

“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.