SCHEMBL1726840

SCHEMBL1726840

Cc1cccc(C)c1P(=O)(c1c(C)cccc1C)c1c(C)cccc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.45
CYP1A2 P05177 1/20 0.45
TSHR P16473 4/20 0.44
ACHE P22303 2/20 0.44
ALDH1A1 P00352 7/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43
MAPT P10636 1/20 0.41
HPGD P15428 2/20 0.41
TDP1 Q9NUW8 1/20 0.40
TRPA1 O75762 2/20 0.38
CD44 P16070 1/20 0.38
ATM Q13315 1/20 0.38
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL3180879 0.86 CYP1A2 (0.39) CYP2A6CYP1A2TSHRACHEALDH1A1
SCHEMBL21621579 0.82 HPGD (0.43) CYP2A6CYP1A2TSHRACHEALDH1A1
SCHEMBL3182826 0.82 CYP1A2 (0.36) CYP2A6CYP1A2TSHRACHEALDH1A1
SCHEMBL967918 0.80 ALDH1A1 (0.43) CYP2A6CYP1A2TSHRACHEALDH1A1
SCHEMBL7826685 0.80 ALDH1A1 (0.43) CYP2A6CYP1A2TSHRACHEALDH1A1
SCHEMBL28622032 0.80 CYP2A6 (0.39) CYP2A6CYP1A2TSHRACHEALDH1A1
Hydrochloric Acid SCHEMBL10912515 0.78 ALDH1A1 (0.42) CYP2A6CYP1A2TSHRACHEALDH1A1
SCHEMBL17223228 0.78 ALDH1A1 (0.42) CYP2A6CYP1A2TSHRACHEALDH1A1
SCHEMBL30216899 0.73 CD44 (0.48) CYP2A6CYP1A2TSHRACHEALDH1A1
SCHEMBL2342981 0.73 TRPA1 (0.48) TSHRALDH1A1CA1CA2CA7

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 49 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2403642-B1 METHODS OF USING A SELECTIVE HYDROGENATION CATALYST CHEVRON PHILLIPS CHEMICAL CO LP (US) 2017-08-02 EP claimed
EP-3144064-B1 SELECTIVE HYDROGENATION CATALYST AND METHODS OF MAKING AND USING SAME CHEVRON PHILLIPS CHEMICAL CO LP (US) 2021-07-28 EP disclosed
EP-3380560-B1 POLYCARBONATE-ASA BLENDS WITH ANTISTATIC PROPERTIES USING SULFONATED ALKANES INEOS STYROLUTION GROUP GMBH (DE) 2019-08-14 EP disclosed
US-20180346715-A1 POLYCARBONATE-ASA BLENDS WITH ANTISTATIC PROPERTIES USING SULFONATED ALKANES HSBC CORPORATE TRUSTEE COMPANY (UK) LIMITED (GB) 2018-12-06 US disclosed
EP-3380560-A1 POLYCARBONATE-ASA BLENDS WITH ANTISTATIC PROPERTIES USING SULFONATED ALKANES INEOS Styrolution Group GmbH (DE) 2018-10-03 EP disclosed
EP-3377596-A1 SELECTIVE HYDROGENATION USING A FLOW INDEX Chevron Phillips Chemical Company LP (US) 2018-09-26 EP disclosed
US-20180148260-A1 Selective Hydrogenation Using a Flow Index CHEVRON PHILLIPS CHEMICAL COMPANY LP 2018-05-31 US disclosed
US-9914676-B2 Selective hydrogenation using a flow index CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2018-03-13 US disclosed
US-20170349507-A1 Selective Hydrogenation Using a Flow Index CHEVRON PHILLIPS CHEMICAL COMPANY LP 2017-12-07 US disclosed
EP-3218104-A1 SELECTIVE HYDROGENATION CATALYST AND METHODS OF MAKING AND USING SAME Chevron Phillips Chemical Company LP (US) 2017-09-20 EP disclosed
WO-2005005536-A1 BLENDS OF GRAFT COPOLYMERS AND STYRENE/BUTADIENE BLOCK COPOLYMERS BASF AKTIENGESELLSCHAFT (DE) 2005-01-20 WO disclosed
WO-2004108783-A1 BLOCK COPOLYMERS BASF AKTIENGESELLSCHAFT (DE) 2004-12-16 WO disclosed
US-20030166761-A1 Filled thermoplastic moulding materials on the basis of polycarbonate and styrene copolymers BASF AKTIENGESELLSCHAFT (DE) 2003-09-04 US disclosed
US-6423767-B1 SHAPED ARTICLES, FILMS OR FIBERS, EXTERNAL AUTOBODY PARTS BASF AKTIENGESELLSCHAFT (DE) 2002-07-23 US disclosed
US-6232397-B1 Molding compounds consisting of a polycarbonate mixture and a siloxane reticular rubber BASF AKTIENGESELLSCHAFT (DE) 2001-05-15 US disclosed
US-5969016-A MOLDING MATERIAL CONSISTING OF POLYCARBONATE, GRAFT COPOLYMER, COPOLYMER OF VINYL AROMATIC COMPOUND OR ALKYL ACRYLATE WITH ACRYLONITRILE, CONDENSATE OF DIOL AND EPIHALOHYDRIN, HALOGEN-FREE PHOSPHORUS COMPOUND, REINFORCEMENT OR ADDITIVE BASF AKTIENGESELLSCHAFT (DE) 1999-10-19 US disclosed
US-5219907-A Halogen-free blends of polycarbonate, graft additionpolymers, phosphate components and ptfe BASF AKTIENGESELLSCHAFT (DE) 1993-06-15 US disclosed
US-5135971-A Polyamide or polyester or polyphenylene ether or a mixture thereof BASF AKTIENGESELLSCHAFT (DE) 1992-08-04 US disclosed
US-5049599-A Polyamide, polyurethane phlegmatizer BASF AKTIENGESELLSCHAFT (DE) 1991-09-17 US disclosed
US-4914144-A BLENDS OF POLYCARBONATES, ADDITION POLYMERS, PHOSPHATES OR PHOSPHONATES BASF AKTIENGESELLSCHAFT (DE) 1990-04-03 US disclosed