SCHEMBL9044783

SCHEMBL9044783

ClC/C=C\c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.52
PAM P19021 1/20 0.52
MAOB P27338 2/20 0.50
HTR2A P28223 3/20 0.48
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
SIGMAR1 Q99720 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 1/20 0.42

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
Benzene SCHEMBL1225972 1.00 IDO1 (0.52) IDO1PAMMAOBHTR2ACYP11B1
SCHEMBL15852 1.00 IDO1 (0.52) IDO1PAMMAOBHTR2ACYP11B1
SCHEMBL39674 1.00 IDO1 (0.52) IDO1PAMMAOBHTR2ACYP11B1
Benzene SCHEMBL1225975 1.00 IDO1 (0.52) IDO1PAMMAOBHTR2ACYP11B1
SCHEMBL16162331 0.97 IDO1 (0.50) IDO1PAMMAOBHTR2ACYP11B1
SCHEMBL16162329 0.97 IDO1 (0.50) IDO1PAMMAOBHTR2ACYP11B1
Ammonia Solution, Strong SCHEMBL3755403 0.97 IDO1 (0.50) IDO1PAMMAOBHTR2ACYP11B1
1,1-Dichloroethene SCHEMBL9741142 0.89 PAM (0.48) IDO1PAMMAOBHTR2A
SCHEMBL10880315 0.89 IDO1 (0.44) IDO1PAMMAOBHTR2ASIGMAR1
Styrene SCHEMBL1507248 0.89 ALDH1A1 (0.58) IDO1PAMMAOBHTR2ASIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117777411-A Crosslinked methylene aromatic hydrocarbon high polymer and synthesis method thereof 乐山师范学院 2024-03-29 CN claimed
CN-117777411-A Crosslinked methylene aromatic hydrocarbon high polymer and synthesis method thereof 乐山师范学院 2024-03-29 CN disclosed
EP-1765830-B1 MITOTIC KINESIN INHIBITORS MERCK SHARP & DOHME (US) 2010-09-22 EP disclosed
CN-1045086-C Preparation method of thiocarbamate compound BEIJING RESEARH CENTRAL INST O (CN) 1999-09-15 CN disclosed
EP-0512352-B1 Substituted carboxylic acid derivatives HOFFMANN LA ROCHE (CH) 1996-03-27 EP disclosed
EP-0643781-A4 ELECTROCATALYTIC ASYMMETRIC DIHYDROXYLATION OF OLEFINIC COMPOUNDS. 1995-04-26 EP disclosed
US-5344843-A Carnitine acryltransferase enzyme inhibitors as antiischemic agents and for cardiovascular disorders HOFFMAN-LA ROCHE INC. (US) 1994-09-06 US disclosed
EP-0512352-A2 Substituted carboxylic acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1992-11-11 EP disclosed
US-4686018-A Organic electrolysis cell with sacrificial electrode SOCIETE NATIONALE DES POUDRES ET EXPLOSIFS (FR) 1987-08-11 US disclosed
US-4637863-A ELECTROCHEMICAL REDUCTION OF ORGANIC HALIDES IN PRESENCE OF CARBONYL DERIVATIVES SOCIETE NATIONALE DES POUDRES ET EXPLOSIFS (FR) 1987-01-20 US disclosed
EP-0005053-B1 FLAME-RETARDANT ORGANIC PHOSPHATES, THEIR PRODUCTION, AND COMPOSITIONS CONTAINING THEM FMC Corporation (US) 1983-05-25 EP disclosed
US-4246169-A Flammable plastics containing a flame retardant amount of polyarylphosphates and the polyarylphosphates FMC CORPORATION (US) 1981-01-20 US disclosed
EP-0005053-A2 Flame-retardant organic phosphates, their production, and compositions containing them FMC Corporation (US) 1979-10-31 EP disclosed