SCHEMBL4744273

SCHEMBL4744273

COc1[c]c2ccccc2cc1.[c]1c(P(c2ccccc2)c2ccccc2)ccc2ccccc12

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL9236181 0.89
SCHEMBL234550 0.86 CYP3A4 (0.42) CYP3A4TDP1
SCHEMBL356683 0.86 CYP3A4 (0.42) CYP3A4TDP1
SCHEMBL4619337 0.84 CYP3A4 (0.41) CYP3A4TDP1
SCHEMBL16180769 0.84 CYP3A4 (0.41) CYP3A4TDP1
SCHEMBL64917 0.82 CYP1A2 (0.40)
SCHEMBL5227738 0.82 CYP1A2 (0.40)
SCHEMBL3621313 0.78 CYP1A2 (0.32)
SCHEMBL5330004 0.77 ESR1 (0.36) CYP3A4TDP1
SCHEMBL1443600 0.76 CYP2A6 (0.35) TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113943318-A Synthesis method of chiral phenyl silanol and 1, 2-chiral disilicon compound 宁夏大学 2022-01-18 CN claimed
EP-3049072-A1 SYNTHESIS OF DELTA 12-PGJ3 AND RELATED COMPOUNDS William Marsh Rice University (US) 2016-08-03 EP claimed
WO-2015048268-A1 SYNTHESIS OF DELTA 12-PGJ3 AND RELATED COMPOUNDS WILLIAM MARSH RICE UNIVERSITY (US) 2015-04-02 WO claimed
CN-113943318-A Synthesis method of chiral phenyl silanol and 1, 2-chiral disilicon compound 宁夏大学 2022-01-18 CN disclosed
EP-3411347-A1 MONOCARBONYL RUTHENIUM AND OSMIUM CATALYSTS Universita' Degli Studi di Udine (IT) 2018-12-12 EP disclosed
WO-2017134618-A1 MONOCARBONYL RUTHENIUM AND OSMIUM CATALYSTS UNIVERSITA' DEGLI STUDI DI UDINE (IT) 2017-08-10 WO disclosed
EP-3166923-A1 PROCESS FOR PREPARING SUBSTITUTED PHENYLALKANES Mallinckrodt LLC (US) 2017-05-17 EP disclosed
WO-2016007823-A1 PROCESS FOR PREPARING SUBSTITUTED PHENYLALKANES MALLINCKRODT LLC (US) 2016-01-14 WO disclosed
EP-2681180-A2 SINGLE SOLVENT GAS EXPANDED HYDROFORMYLATION PROCESS The University of Kansas (US) 2014-01-08 EP disclosed
WO-2012121838-A2 SINGLE SOLVENT GAS EXPANDED HYDROFORMYLATION PROCESS THE UNIVERSITY OF KANSAS (US) 2012-09-13 WO disclosed
WO-2008114123-A1 SPIRO BENZIMIDAZOLE DERIVATIVES AS ACID PUMP INHIBITORS RAQUALIA PHARMA INC. (JP) 2008-09-25 WO disclosed
WO-2007072142-A2 BENZIMIDAZOLE-5-CARBOXAMIDE DERIVATIVES PFIZER JAPAN INC. (JP) 2007-06-28 WO disclosed
EP-1178982-A1 HETEROCYCLIC SUBSTITUTED AMINOAZACYCLES USEFUL AS CENTRAL NERVOUS SYSTEM AGENTS ABBOTT LABORATORIES (US) 2002-02-13 EP disclosed
WO-2000071534-A1 HETEROCYCLIC SUBSTITUTED AMINOAZACYCLES USEFUL AS CENTRAL NERVOUS SYSTEM AGENTS ABBOTT LABORATORIES (US) 2000-11-30 WO disclosed
EP-0647647-A1 Tertiary phosphine compound and transition metal complex comprising the same as ligand SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-04-12 EP disclosed