SCHEMBL844862

SCHEMBL844862

[LiH].[LiH].c1ccc(C(CCC(c2ccccc2)c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 7/20 0.65
HTR2A P28223 7/20 0.59
TAAR1 Q96RJ0 1/20 0.55
KCNH2 Q12809 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2D6 P10635 2/20 0.50
CHRM2 P08172 1/20 0.50
HTR1A P08908 1/20 0.50
ADRA2A P08913 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
CHRM1 P11229 1/20 0.50
SMPD1 P17405 1/20 0.50
DRD1 P21728 1/20 0.50
TBXA2R P21731 1/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A4 P31645 1/20 0.50
ADRA1A P35348 1/20 0.50
OPRM1 P35372 1/20 0.50
DRD3 P35462 1/20 0.50
CASR P41180 1/20 0.50

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
SCHEMBL27321444 1.00 HRH1 (0.65) HRH1HTR2ATAAR1KCNH2CYP3A4
SCHEMBL3290730 0.97 HRH1 (0.68) HRH1HTR2ATAAR1KCNH2CYP3A4
SCHEMBL2732016 0.93 HRH1 (0.65) HRH1HTR2ATAAR1KCNH2CYP3A4
SCHEMBL9073997 0.84 HRH1 (0.71) HRH1HTR2ATAAR1KCNH2CHRM2
SCHEMBL10537483 0.83 HRH1 (0.54) HRH1HTR2ATAAR1KCNH2CYP3A4
SCHEMBL3644776 0.83 HRH1 (0.54) HRH1HTR2ATAAR1KCNH2CYP3A4
SCHEMBL8217290 0.83 HRH1 (0.61) HRH1HTR2ATAAR1KCNH2CHRM2
SCHEMBL6053350 0.83 HRH1 (0.54) HRH1HTR2ATAAR1KCNH2CYP3A4
SCHEMBL28229621 0.83 HRH1 (0.54) HRH1HTR2ATAAR1KCNH2CYP3A4
SCHEMBL29723649 0.81 CNR1 (0.56) HRH1HTR2AKCNH2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-0668297-B1 Living statistic (meth)acrylat copolymers, copolymers prepared from these living copolymers, and process for preparing these copolymers by anionic copolymerisation ATOCHEM ELF SA (FR) 1998-09-09 EP claimed
EP-0599671-B1 Process for preparing sequenced copolymers derived from conjugated dienes and methyl methacrylate ATOCHEM ELF SA (FR) 1995-12-13 EP claimed
EP-2336242-B1 Mixture of conjugated diene - vinyl aromatic hydrocarbon copolymers and adhesive composition having the same TSRC CORP (TW) 2016-08-03 EP disclosed
CN-102146191-B Mixture of conjugated diene-vinyl aromatic hydrocarbon copolymers and adhesive composite containing same TSRC CORP 2014-07-02 CN disclosed
US-8461246-B2 Mixture of conjugated diene—vinyl aromatic hydrocarbon copolymers and adhesive composition having the same TSRC CORPORATION (TW) 2013-06-11 US disclosed
WO-2011147545-A1 CONTINUOUS PROCESS FOR PREPARING QUANTITATIVELY TERMINALLY FUNCTIONALIZED POLYMERS USING OXIRANE DERIVATIVES AS TERMINATION REAGENTS Johannes Gutenberg-Universität Mainz (DE) 2011-12-01 WO disclosed
CN-102146191-A Mixture of conjugated diene-vinyl aromatic hydrocarbon copolymers and adhesive composite containing same TSRC CORP 2011-08-10 CN disclosed
US-20110152436-A1 MIXTURE OF CONJUGATED DIENE - VINYL AROMATIC HYDROCARBON COPOLYMERS AND ADHESIVE COMPOSITION HAVING THE SAME TSRC CORPORATION (TW) 2011-06-23 US disclosed
EP-2336242-A1 Mixture of conjugated diene - vinyl aromatic hydrocarbon copolymers and adhesive composition having the same TSRC Corporation (TW) 2011-06-22 EP disclosed
EP-2042578-A1 Transparent adhesive tape Tesa AG (DE) 2009-04-01 EP disclosed
EP-2042579-A1 Transparent adhesive tape Tesa AG (DE) 2009-04-01 EP disclosed
EP-0405327-B1 Bifunctional initiators for anionic polymerization and process for their preparation BASF AG (DE) 1994-10-19 EP disclosed
US-5171800-A Block copolymerization of vinyl aromatic compounds and conjugated dienes with organoalkalimetal compound; polymerization catalysis BASF AKTIENGESELLSCHAFT (DE) 1992-12-15 US disclosed