SCHEMBL7914834

SCHEMBL7914834

C=Cc1ccc(Cl)c(C)c1C

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
CES1 P23141 1/20 0.31

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
SCHEMBL11661670 0.84 ALDH1A1 (0.38) ALDH1A1
SCHEMBL31391761 0.84 ALDH1A1 (0.38) ALDH1A1
SCHEMBL18506337 0.84 ALDH1A1 (0.43) ALDH1A1
SCHEMBL10792416 0.82 ALDH1A1 (0.41) ALDH1A1
Water SCHEMBL20239032 0.82 ALDH1A1 (0.36) ALDH1A1
SCHEMBL9431949 0.81 ALDH1A1 (0.38) ALDH1A1
SCHEMBL1532661 0.79 ALDH1A1 (0.60) ALDH1A1
SCHEMBL6534927 0.76 ALDH1A1 (0.33) ALDH1A1CES1
SCHEMBL6015170 0.76 TDP1 (0.46) ALDH1A1CES1
SCHEMBL6681654 0.76 ALDH1A1 (0.48) ALDH1A1CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017027600-A1 GEMINAL SUBSTITUTED AMINOBENZISOXAZOLE COMPOUNDS AS AGONISTS OF α7-NICOTINIC ACETYLCHOLINE RECEPTORS FORUM PHARMACEUTICALS, INC. (US) 2017-02-16 WO disclosed
US-6255424-B1 COUPLING POLYMERIC PRECURSOR SEGMENTS, EACH HAVING LIVING END CAPABLE OF REACTING IN POLYMERIZATION REACTION, TOGETHER IN CONVERGENT MANNER INVOLVING REACTION OF MULTIFUNCTIONAL COUPLING AGENT TO FORM HYPERBRANCHED STRUCTURE COLORADO SCHOOL OF MINES 2001-07-03 US disclosed
EP-0660849-A1 FLUOROCHEMICAL POLYMER SYSTEMS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-07-05 EP disclosed
US-5326489-A Sulfonated polymer NIPPON SHOKUBAI CO., LTD. (JP) 1994-07-05 US disclosed
WO-1994006837-A1 FLUOROCHEMICAL POLYMER SYSTEMS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1994-03-31 WO disclosed
EP-0523300-B1 Electrorheological fluids NIPPON CATALYTIC CHEM IND (JP) 1994-01-19 EP disclosed
EP-0523300-A1 Electrorheological fluids NIPPON SHOKUBAI KAGAKU KOGYO CO. LTD. (JP) 1993-01-20 EP disclosed
US-3969433-A ADDITION POLYMER KOSE AKIRA 1976-07-13 US disclosed