SCHEMBL2879307

SCHEMBL2879307

ClP(Cl)c1ccccc1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.48
ALDH1A1 P00352 5/20 0.42
HSD17B10 Q99714 2/20 0.42
HPGD P15428 1/20 0.42
BCL2L1 Q07817 1/20 0.42
MAPK1 P28482 1/20 0.42
BACE1 P56817 1/20 0.39
DPP4 P27487 1/20 0.38
HDAC4 P56524 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
TDP1 Q9NUW8 1/20 0.35
BCAT2 O15382 1/20 0.35
CYP1A2 P05177 1/20 0.35
CASP3 P42574 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
PTGS2 P35354 1/20 0.34

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
SCHEMBL29204681 0.85 CYP2A6 (0.48) CYP2A6ALDH1A1HSD17B10HPGDBCL2L1
SCHEMBL6292080 0.79 ALDH1A1 (0.46) CYP2A6ALDH1A1HSD17B10HPGDBCL2L1
SCHEMBL5081022 0.75 ALDH1A1 (0.42) CYP2A6ALDH1A1HSD17B10HPGDBCL2L1
SCHEMBL10792406 0.75 ALDH1A1 (0.42) CYP2A6ALDH1A1HSD17B10HPGDBCL2L1
SCHEMBL3757327 0.75 ALDH1A1 (0.48) CYP2A6ALDH1A1HSD17B10HPGDBCL2L1
SCHEMBL30753793 0.75 ALDH1A1 (0.48) CYP2A6ALDH1A1HSD17B10HPGDBCL2L1
SCHEMBL14245009 0.75 HDAC4 (0.46) CYP2A6ALDH1A1HSD17B10HPGDBCL2L1
SCHEMBL1986740 0.74 TSHR (0.35) CYP2A6TDP1CYP1A2
SCHEMBL30391714 0.74 TSHR (0.35) CYP2A6TDP1CYP1A2
SCHEMBL4004840 0.73 TDP1 (0.50) CYP2A6ALDH1A1HSD17B10HPGDBCL2L1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1354886-B1 Process for the preparation of tertiary phosphines SALTIGO GMBH (DE) 2009-08-26 EP claimed
US-7230136-B2 Reacting phosphorus halide with organomagnesium compound in presence of copper compound LANXESS DEUTSCHLAND GMBH (DE) 2007-06-12 US claimed
US-20030229240-A1 Reacting phosphorus halide with organomagnesium compound in presence of copper compound LANXESS DEUTSCHLAND GMBH (DE) 2003-12-11 US claimed
EP-1354886-A1 Process for the preparation of tertiary phosphines Bayer Aktiengesellschaft (DE) 2003-10-22 EP claimed
CN-115246858-A Phosphine-oxa bidentate ligand and its coordinated transition metal complex and use 东莞市均成高新材料有限公司 2022-10-28 CN disclosed
US-7847126-B2 prepared by reacting phosphorus halide with organomagnesium compound in presence of copper compound; di(tert-butyl)phenylphosphonium tetrafluoroborate, for example LANXESS DEUTSCHLAND GMBH (DE) 2010-12-07 US disclosed
EP-1354886-B1 Process for the preparation of tertiary phosphines SALTIGO GMBH (DE) 2009-08-26 EP disclosed
US-20070299273-A1 prepared by reacting phosphorus halide with organomagnesium compound in presence of copper compound; di(tert-butyl)phenylphosphonium tetrafluoroborate, for example LANXESS DEUTSCHLAND GMBH (DE) 2007-12-27 US disclosed
US-7230136-B2 Reacting phosphorus halide with organomagnesium compound in presence of copper compound LANXESS DEUTSCHLAND GMBH (DE) 2007-06-12 US disclosed
US-20030229240-A1 Reacting phosphorus halide with organomagnesium compound in presence of copper compound LANXESS DEUTSCHLAND GMBH (DE) 2003-12-11 US disclosed
EP-1354886-A1 Process for the preparation of tertiary phosphines Bayer Aktiengesellschaft (DE) 2003-10-22 EP disclosed
US-4528404-A High temperature hydroformylation in the presence of triarylphosphine rhodium carbonyl hydride complex catalyst systems EXXON RESEARCH AND ENGINEERING CO. (US) 1985-07-09 US disclosed