SCHEMBL2125552

SCHEMBL2125552

[Na]C(CCC([Na])(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 13)

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
DRD4 P21917 1/20 0.35
OPRM1 P35372 1/20 0.35
DRD3 P35462 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
SCHEMBL8333859 0.84 HRH1 (0.45) ALDH1A1KIF11TAAR1CYP1A2CYP2C19
SCHEMBL3900496 0.80 KCNN4 (0.39) KCNN4TSHRALDH1A1KIF11TAAR1
SCHEMBL8533806 0.79 SIGMAR1 (0.40) KCNN4KIF11
SCHEMBL5498484 0.71 KCNN4 (0.47) KCNN4TSHRALDH1A1TAAR1CYP1A2
SCHEMBL298364 0.71 KCNN4 (0.47) KCNN4TSHRALDH1A1TAAR1CYP1A2
SCHEMBL3889625 0.69 KCNN4 (0.45) KCNN4TSHRALDH1A1TAAR1CYP1A2
SCHEMBL11439383 0.69 KCNN4 (0.45) KCNN4TSHRALDH1A1KIF11TAAR1
SCHEMBL1149158 0.69 KIF11 (0.64) KCNN4TSHRALDH1A1KIF11TAAR1
Naphthalene SCHEMBL11519928 0.69 CYP2A6 (0.44) KCNN4TSHRALDH1A1TAAR1CYP1A2
SCHEMBL3889984 0.67 MAPK1 (0.50) 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 154 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8835561-B2 Rubber composition containing branched blocked polymers MICHELIN RECHERCHE ET TECHNIQUE S.A. (CH) 2014-09-16 US claimed
EP-1915408-B1 RUBBER COMPOSITION CONTAINING BRANCHED BLOCK POLYMERS MICHELIN & CIE (FR) 2013-10-02 EP claimed
US-20100154945-A1 Rubber composition containing branched blocked polymers MICHELIN RECHERCHE ET TECHNIQUE S.A. (CH) 2010-06-24 US claimed
EP-1915408-A1 RUBBER COMPOSITION CONTAINING BRANCHED BLOCK POLYMERS Societe de Technologie Michelin (FR) 2008-04-30 EP claimed
WO-2007014998-A1 RUBBER COMPOSITION CONTAINING BRANCHED BLOCK POLYMERS SOCIETE DE TECHNOLOGIE MICHELIN (FR) 2007-02-08 WO 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
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-6262204-B1 AS POLYMERIZATION INITIATOR FOR POLYMERIZATION OF (METH)ACRYLIC MONOMERS AND OPTIONALLY ETHYLENICALLY UNSATURATED MONOMERS ATOFINA (FR) 2001-07-17 US claimed
US-5629393-A METAL-HYDROCARBON, METAL ALCOHOLATE ELF ATOCHEM S.A. (FR) 1997-05-13 US claimed
EP-0524054-B1 Polymerisation of (meth)acrylic monomers ATOCHEM ELF SA (FR) 1997-03-05 EP claimed
US-5561207-A USING COORDINATION CATALYST ELF ATOCHEM S.A. (FR) 1996-10-01 US claimed
US-5476904-A Thermoplastic elastomers having improved heat resistance comprising conjugated diene/methyl methacrylate block copolymers ELF ATOCHEM S.A. (FR) 1995-12-19 US 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-0668297-A1 Living statistic (meth)acrylat copolymers, copolymers prepared from these living copolymers, and process for preparing these copolymers by anionic copolymerisation ELF ATOCHEM S.A. (FR) 1995-08-23 EP claimed
US-5395884-A Process for manufacturing multisequence star or network polycondensates by di- or multi-aldehyde coupling, and polycondensates obtained ELF ATOCHEM S.A. (FR) 1995-03-07 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