SCHEMBL3925445

SCHEMBL3925445

[Li]c1cccc2c([Li])cccc12

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 7/20 0.37
CYP2A6 P11509 6/20 0.37
ALDH1A1 P00352 5/20 0.37
HSD17B10 Q99714 5/20 0.37
HPGD P15428 4/20 0.37
TSHR P16473 4/20 0.37
TDP1 Q9NUW8 3/20 0.37
CYP3A4 P08684 2/20 0.37
THRB P10828 2/20 0.32
APP P05067 1/20 0.30
MAPT P10636 1/20 0.30
ALOX15 P16050 1/20 0.30
CASP1 P29466 1/20 0.30
SNCA P37840 1/20 0.30
RECQL P46063 1/20 0.30
KEAP1 Q14145 1/20 0.30
IDO1 P14902 1/20 0.30

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
SCHEMBL135501 0.85 ALDH1A1 (0.39) CYP1A2CYP2A6ALDH1A1HSD17B10HPGD
SCHEMBL29658213 0.85 ALDH1A1 (0.39) CYP1A2CYP2A6ALDH1A1HSD17B10HPGD
SCHEMBL2159006 0.83
SCHEMBL29585978 0.81 ALDH1A1 (0.53) CYP1A2CYP2A6ALDH1A1HSD17B10HPGD
SCHEMBL238050 0.81 ALDH1A1 (0.53) CYP1A2CYP2A6ALDH1A1HSD17B10HPGD
SCHEMBL3079050 0.79 HPRT1 (0.67) CYP1A2CYP2A6ALDH1A1HSD17B10HPGD
Methane SCHEMBL5212093 0.78 ALDH1A1 (0.50) CYP1A2CYP2A6ALDH1A1HSD17B10HPGD
SCHEMBL11081181 0.74 ALDH1A1 (0.43) CYP1A2CYP2A6ALDH1A1HSD17B10HPGD
SCHEMBL12470178 0.74 CYP1A2 (0.50) CYP1A2CYP2A6ALDH1A1HSD17B10HPGD
SCHEMBL14935475 0.74 CYP1A2 (0.50) CYP1A2CYP2A6ALDH1A1HSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0046668-B1 PROCESS FOR PRODUCING HIGH IMPACT POLYSTYRENE JAPAN ELASTOMER COMPANY LIMITED (JP) 1985-11-13 EP claimed
US-4482677-A POLYENE, ORGANOLITIUM INITIATOR, STAR POLYMERS JAPAN ELASTOMER CO., LTD. (JP) 1984-11-13 US claimed
EP-0046668-A2 Process for producing high impact polystyrene JAPAN ELASTOMER COMPANY LIMITED (JP) 1982-03-03 EP claimed
US-4297451-A Dienyllithium initiated polymers PHILLIPS PETROLEUM COMPANY (US) 1981-10-27 US claimed
US-4158098-A RANDOMIZER-INITIATOR-COMONOMER REACTION PRODUCT OF A HYDROCARBON LITHIUM COMPOUND AND A POLYALKOXY MONOVINYL AROMATIC COMPOUND PHILLIPS PETROLEUM COMPANY (US) 1979-06-12 US claimed
US-3993854-A ALKADIENOL ADDUCTS AS POLYMERIZATION INITIATORSHYDROXY-TERMINATED POLYMERS PHILLIPS PETROLEUM COMPANY (US) 1976-11-23 US claimed
US-3931107-A POLYALKOXY MONOVINYLAROMATIC COMPOUND IN COPOLYMERIZATION OF A CONJUGATED DIENE WITH A MONOVINYL-SUBSTITUTED AROMATIC COMPOUND PHILLIPS PETROLEUM COMPANY (US) 1976-01-06 US claimed
EP-1785437-B1 IMPACT-RESISTANT VINYLAROMATIC HYDROCARBON RESIN ASAHI KASEI CHEMICALS CORP (JP) 2009-07-29 EP disclosed
US-7557160-B2 Impact-resistant vinyl aromatic hydrocarbon resin ASAHI KASEI CHEMICALS CORPORATION (JP) 2009-07-07 US disclosed
US-20070260017-A1 Impact-Resistant Vinyl Aromatic Hydrocarbon Resin ASAHI KASEI CHEMICALS CORPORATION (JP) 2007-11-08 US disclosed
EP-1785437-A1 IMPACT-RESISTANT VINYLAROMATIC HYDROCARBON RESIN Asahi Kasei Chemicals Corporation (JP) 2007-05-16 EP disclosed
US-H2030-H1 Process for the preparation of random copolymers of conjugated dienes and vinyl aromatic compounds SHELL OIL COMPANY 2002-06-04 US disclosed
EP-0413403-B1 Process for the preparation of copolymers of conjugated dienes and vinyl aromatic compounds SHELL INT RESEARCH (NL) 1999-07-07 EP disclosed
US-4121031-A BUTADIENE, STYRENE, ALKYLLITHIUM CATALYST, HYDROCARBON SOLVENT, SLURRYING MINEKAWA SABURO 1978-10-17 US disclosed
US-4080400-A Silylated polymers and silylated organic-organopolysiloxane block copolymers SWS SILICONES CORPORATION (US) 1978-03-21 US disclosed
US-4053446-A PROCESS FOR PREPARING HIGH TEAR-STRENGTH POLYDIENE POLYURETHANE BRIDGESTONE TIRE COMPANY, LTD. (JA) 1977-10-11 US disclosed
US-4044195-A ALKADIENOL ADDUCTS AS POLYMERIZATION INITIATORS2,4-PENTADIEN-1-OL PHILLIPS PETROLEUM COMPANY (US) 1977-08-23 US disclosed
US-3993854-A ALKADIENOL ADDUCTS AS POLYMERIZATION INITIATORSHYDROXY-TERMINATED POLYMERS PHILLIPS PETROLEUM COMPANY (US) 1976-11-23 US disclosed
US-3931107-A POLYALKOXY MONOVINYLAROMATIC COMPOUND IN COPOLYMERIZATION OF A CONJUGATED DIENE WITH A MONOVINYL-SUBSTITUTED AROMATIC COMPOUND PHILLIPS PETROLEUM COMPANY (US) 1976-01-06 US disclosed
US-3931126-A MODIFICATION OF CONJUGATED DIENE POLYMERS BY TREATMENT WITH ORGANOLITHIUM AND N,N,N',N'-TETRAMETHYLALKYLENEDIAMINE COMPOUNDS PHILLIPS PETROLEUM COMPANY (US) 1976-01-06 US disclosed