SCHEMBL50795

SCHEMBL50795

[Li]C(CCC([Li])(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 4/20 0.41
TSHR P16473 2/20 0.41
ALDH1A1 P00352 1/20 0.41
KIF11 P52732 4/20 0.41
TAAR1 Q96RJ0 1/20 0.39
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
CYP2D6 P10635 1/20 0.35
HRH1 P35367 1/20 0.35
SCN1A P35498 1/20 0.35
KMT2A Q03164 1/20 0.35
SCN2A Q99250 1/20 0.35
SCN3A Q9NY46 1/20 0.35

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
SCHEMBL8006703 0.85 KCNN4 (0.41) KCNN4TSHRKIF11TAAR1CYP1A2
SCHEMBL8416734 0.81 KIF11 (0.41) KCNN4KIF11TAAR1MEN1KMT2A
SCHEMBL1820058 0.80 KCNN4 (0.39) KCNN4TSHRALDH1A1KIF11TAAR1
SCHEMBL5307273 0.79 HRH1 (0.45) ALDH1A1TAAR1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL134012 0.79 SIGMAR1 (0.40) KCNN4KIF11MEN1KMT2A
SCHEMBL907893 0.79 CYP2D6 (0.39) ALDH1A1KIF11TAAR1CYP2C19SMN1; SMN2
SCHEMBL6053179 0.78 KCNN4 (0.44) KCNN4TSHRALDH1A1TAAR1CYP2C19
Dimethylamine SCHEMBL21065756 0.75 GAA (0.40) KCNN4KIF11MEN1KMT2A
SCHEMBL10394705 0.75 KIF11 (0.38) KCNN4KIF11CYP2C9CYP2C19CYP2D6
SCHEMBL8407090 0.74 TAAR1 (0.43) KCNN4TSHRALDH1A1TAAR1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7700694-B2 Catalyst composition and method for hydrogenating a polymer having a conjugated diene TSRC CORPORATION (TW) 2010-04-20 US claimed
US-20070254802-A1 Catalyst composition and method for hydrogenating a polymer having a conjugated diene TSRC CORPORATION (TW) 2007-11-01 US claimed
EP-0870780-B1 Initiator system comprising an heterocyclic ligand for the anionic (co)polymerisation of (meth)acrylic monomers and polymerisation process using it ATOFINA (FR) 2004-09-15 EP claimed
US-20040068068-A1 Optically active polymer with epoxide functions, method for preparing same, and use thereof UNIVERSITY CLAUDE BERNARD LYON 1 (FR) 2004-04-08 US claimed
EP-0870777-B1 Initiator system and process for the anionic (co)polymerisation of (meth)acrylic, vinylaromatic and/or dienic monomers ATOFINA (FR) 2003-09-24 EP claimed
US-6489262-B2 COMPRISING REACTION PRODUCT OF A CYCLIC SILOXANE AND AN ORGANOMETALLIC COMPOUND SUCH AS SEC-BUTYLLITHIUM; FOR MAKING POLYMETHYL METHACRYLATE WITH HIGH CONTENT OF ISOTACTIC TRIADS ATOFINA (FR) 2002-12-03 US claimed
US-20010018397-A1 Comprising reaction product of a cyclic siloxane and an organometallic compound such as sec-butyllithium; for making polymethyl methacrylate with high content of isotactic triads ELF ATOCHEM S.A. (FR) 2001-08-30 US claimed
US-20010003726-A1 INITIATION SYSTEM COMPRISING AN AMINO ALCOHOLATE LIGAND FOR ANIONIC COPOLYMERIZATION OF (METH)ACRYLIC MONOMERS AND PROCESS USING SAME ELF ATOCHEM S.A. (FR) 2001-06-14 US claimed
US-6225415-B1 SUPPLYING ANIONICALLY POLYMERIZABLE MONOMER, ADDING ANIONIC POLYMERIZATION INITIATOR TO FORM ANIONICALLY TERMINATED POLYMER CHAIN; ADDING FUNCTIONAL MONOMER TO ADD SINGLE UNIT OF FUNCTIONAL MONOMER UNIVERSITY OF NORTH CAROLINA AT CHARLOTTE 2001-05-01 US claimed
US-6069207-A ANIONIC POLYMERIZATE OF AT LEAST TWO MONOMERS IN PRESENCE OF AT LEAST ONE ALKALI OR ALKALINE EARTH METAL, MONO- OR DIFUNCTIONAL INITIATOR AND LIGAND SELECTED FROM NONNITROGENOUS MACROCYCLIC COMPLEXANT OR ALKALI METAL ALCOHOLATE ELF ATOCHEM S.A. (FR) 2000-05-30 US claimed
EP-0599671-A1 Process for preparing sequenced copolymers derived from conjugated dienes and methyl methacrylate ELF ATOCHEM S.A. (FR) 1994-06-01 EP claimed
EP-0551221-A1 Process for the preparation of star or network multiblock polycondensates by coupling di- or multi-adhehydes, and polycondensate thus obtained ELF ATOCHEM S.A. (FR) 1993-07-14 EP claimed
EP-0524054-A1 Polymerisation of (meth)acrylic monomers ELF ATOCHEM S.A. (FR) 1993-01-20 EP claimed
US-4340690-A Cyclic organo carbonate and sulfite coupling agents for living polymers of conjugated dienes THE GOODYEAR TIRE & RUBBER COMPANY (US) 1982-07-20 US claimed
US-4340691-A Linear organo carbonate coupling agents for living polymers of conjugated dienes THE GOODYEAR TIRE & RUBBER COMPANY (US) 1982-07-20 US claimed
US-4301259-A FOR BROADENING MOLECULAR WEIGHT DISTRIBUTION AND RESULTING IN NEGLIBLE COLD FLOW THE GOODYEAR TIRE & RUBBER COMPANY (US) 1981-11-17 US claimed
US-4301258-A OF BROADENED MOLECULAR WEIGHT DISTRIBUTION; HIGH IMPACT PLASTICS THE GOODYEAR TIRE & RUBBER COMPANY (US) 1981-11-17 US claimed
US-4229308-A HOMOPOLYMERS OF CONJUGATED DIENES OR COPOLYMERS WITH A VINYL AROMATIC COMPOUND RHONE-POULENC INDUSTRIES (FR) 1980-10-21 US claimed
US-4222882-A DIENE POLYMER MODIFIED BY AN N-SUBSTITUTED LACTAM COMPOUND, HYDROGENATION RHONE-POULENC INDUSTRIES (FR) 1980-09-16 US claimed
US-4083834-A CONJUGATED DIENE POLYMER JAPAN SYNTHETIC RUBBER CO., LTD. (JA) 1978-04-11 US claimed