SCHEMBL118704

SCHEMBL118704

CC(C)(O)C(C)(C)OCCO

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
Phosphoric Acid SCHEMBL10320407 0.89 LMNA (0.33)
SCHEMBL12547206 0.85 TSHR (0.39) ALDH1A1TSHRMAPK1MEN1KMT2A
SCHEMBL12219347 0.80 TSHR (0.35) ALDH1A1TSHRMAPK1MEN1KMT2A
SCHEMBL29219480 0.78 TSHR (0.31) TSHR
SCHEMBL15759831 0.78 ALDH1A1 (0.33) ALDH1A1TSHRMAPK1MEN1KMT2A
SCHEMBL7207097 0.77
SCHEMBL28896791 0.76 ALDH1A1 (0.32) ALDH1A1TSHRMAPK1MEN1KMT2A
Boric Acid SCHEMBL28283419 0.75 CYP4F2 (0.38) ALDH1A1TSHRMEN1KMT2A
Hydrochloric Acid SCHEMBL28470817 0.74
SCHEMBL27916215 0.74 TSHR (0.37) ALDH1A1TSHR

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2476684-B1 Method for manufacturing alkyl-phosphates LANXESS DEUTSCHLAND GMBH (DE) 2017-07-19 EP claimed
CN-102413931-B Alkoxylation of fluorinated alcohols DU PONT 2014-05-07 CN disclosed
CN-102413931-A Alkoxylation of fluorinated alcohols DU PONT 2012-04-11 CN disclosed
EP-2424662-A1 ALKOXYLATION OF FLUORINATED ALCOHOLS E. I. du Pont de Nemours and Company (US) 2012-03-07 EP disclosed
US-8053606-B2 Alkoxylation of fluorinated alcohols E.I. DU PONT DE NEMOURS AND COMPANY (US) 2011-11-08 US disclosed
US-8039677-B2 Fluoroalkylalkoxylates E.I. DU PONT DE NEMOURS AND COMPANY (US) 2011-10-18 US disclosed
US-20100280281-A1 ALKOXYLATION OF FLUORINATED ALCOHOLS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-11-04 US disclosed
WO-2010127221-A1 ALKOXYLATION OF FLUORINATED ALCOHOLS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-11-04 WO disclosed
US-20100280280-A1 FLUOROALKYLALKOXYLATES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-11-04 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-20100280280-A1 FLUOROALKYLALKOXYLATES ADH1A, AKR7A2, ALKBH3 ALDH1A1 326/4885TSHR 2308/4885MAPK1 2924/4885
US-20100280281-A1 ALKOXYLATION OF FLUORINATED ALCOHOLS ADH1A, ADH1C, ADH5 ALDH1A1 171/4885TSHR 2100/4885MAPK1 2741/4885

“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.