SCHEMBL2139458

SCHEMBL2139458

[Li]c1c2ccccc2c([Li])c2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
HSD17B10 Q99714 5/20 0.41
CYP2A6 P11509 3/20 0.41
TSHR P16473 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP1A2 P05177 5/20 0.39
IDO1 P14902 1/20 0.39
GPR3 P46089 4/20 0.37
HPRT1 P00492 1/20 0.37
KDM4E B2RXH2 2/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HPGD P15428 2/20 0.33
ALOX12 P18054 1/20 0.33
HIF1A Q16665 1/20 0.33
CYP1B1 Q16678 1/20 0.33
THRB P10828 1/20 0.33
CYP3A4 P08684 1/20 0.32
KEAP1 Q14145 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL11790488 0.88 ALDH1A1 (0.39) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL7214276 0.77 ALDH1A1 (0.50) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL29658213 0.72 ALDH1A1 (0.39) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL135501 0.72 ALDH1A1 (0.39) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL30977781 0.71 HPRT1 (0.57) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL31467394 0.71 HPRT1 (0.57) ALDH1A1HSD17B10CYP2A6TSHRTDP1
Triphenylene SCHEMBL29698924 0.71 HPRT1 (0.57) ALDH1A1HSD17B10CYP2A6TSHRTDP1
Triphenylene SCHEMBL25597 0.71 HPRT1 (0.57) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL1006251 0.71 HPRT1 (0.57) ALDH1A1HSD17B10CYP2A6TSHRTDP1
Triphenylene SCHEMBL311118 0.71 HPRT1 (0.57) ALDH1A1HSD17B10CYP2A6TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108395544-B Large-scale preparation method of triazine skeleton covalent polymer 中国科学院上海高等研究院 2021-03-16 CN claimed
EP-0238784-B1 PROCESS AND SYSTEM FOR PREPARING RANDOM COPOLYMERS HAVING LOW VINYL CONTENTS THE FIRESTONE TIRE & RUBBER COMPANY (US) 1993-03-17 EP claimed
EP-0258167-A2 Modifier for lithium catalysts THE GOODYEAR TIRE & RUBBER COMPANY (US) 1988-03-02 EP claimed
EP-0238784-A2 Process and system for preparing random copolymers having low vinyl contents THE FIRESTONE TIRE & RUBBER COMPANY (US) 1987-09-30 EP claimed
US-4696986-A 1,2,3- OR 1,2,4-TRIALKOXYBENZENE MODIFIERS THE GOODYEAR TIRE & RUBBER COMPANY (US) 1987-09-29 US claimed
US-4672097-A ANIONIC INITIATORS; SODIUM MAGNESIATE AND ORGANOLITHIUM COMPOUNDS THE FIRESTONE TIRE & RUBBER COMPANY (US) 1987-06-09 US claimed
US-4537939-A ORGANOLITHIUM INITIATOR WITH A TRI-N-HETEROCYCLIC PHOSPHINE OXIDE MODIFIER THE FIRESTONE TIRE & RUBBER COMPANY (US) 1985-08-27 US claimed
JP-7309882-A None JP disclosed
JP-8295695-A None JP disclosed
CN-108395544-B Large-scale preparation method of triazine skeleton covalent polymer 中国科学院上海高等研究院 2021-03-16 CN disclosed
US-7884168-B2 Heterogeneous rubbery polymers having random, tapered, and block portions therein and methods of making same THE GOODYEAR TIRE & RUBBER COMPANY (US) 2011-02-08 US disclosed
US-7825202-B2 polybutadiene; butadiene-styrene copolymer; low to medium vinyl microstructure 10% to 40%; tire tread; improved wear and tear characteristics; potassium alkyl borohydride or potassium alkyl aluminum hydride; an organolithium compound; living lithium terminated; absence of polar modifiers THE GOODYEAR TIRE & RUBBER COMPANY (US) 2010-11-02 US disclosed
US-20100206443-A1 Heterogeneous Rubbery Polymers Having Random, Tapered, and Block Portions Therein and Methods of Making Same THE GOODYEAR TIRE & RUBBER COMPANY (US) 2010-08-19 US disclosed
US-4473661-A Polymerization catalyst system containing organolithium, dialkyl magnesium and/or trialkyl aluminum, and a phosphine oxide THE FIRESTONE TIRE & RUBBER COMPANY (US) 1984-09-25 US disclosed
EP-0098977-A1 Catalyst system containing an anionic initiator and a phosphine oxide modifier and process for production of polymers having increased 1,2 microstructure THE FIRESTONE TIRE & RUBBER COMPANY (US) 1984-01-25 EP disclosed
EP-0098408-A2 Catalyst containing a phosphine oxide modifier and process for production of polymers having increased 1,2-microstructure THE FIRESTONE TIRE & RUBBER COMPANY (US) 1984-01-18 EP disclosed
US-4311803-A Continuous solution polymerization process PHILLIPS PETROLEUM COMPANY (US) 1982-01-19 US disclosed
EP-0019100-A1 Continuous solution polymerization process PHILLIPS PETROLEUM COMPANY (US) 1980-11-26 EP disclosed
US-4137391-A Continuous solution polymerization of a conjugated diene with a monovinylaromatic compound using alkoxysilicon treating agents in the first reactor means of a reactor series PHILLIPS PETROLEUM COMPANY (US) 1979-01-30 US disclosed
US-4091198-A Suppressing gel in the continuous solution polymerization of a conjugated diene with a monovinyl aromatic compound PHILLIPS PETROLEUM COMPANY (US) 1978-05-23 US disclosed