SCHEMBL4185335

SCHEMBL4185335

CCCCCCCCCc1ccc(OP(=O)([O-])[O-])c(CC(CC)CCCC)c1.CCCCCCCCCc1ccc(OP(=O)([O-])[O-])c(CC(CC)CCCC)c1.CCCCCCCCCc1ccc(OP(=O)([O-])[O-])c(CC(CC)CCCC)c1.[Nd+3]

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 4/20 0.37
S1PR3 Q99500 3/20 0.37
S1PR2 O95136 2/20 0.37
S1PR4 O95977 2/20 0.37
PPARA Q07869 2/20 0.37
PPARG P37231 1/20 0.37
ENPP2 Q13822 1/20 0.36
APAF1 O14727 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL673299 0.98 S1PR1 (0.37) S1PR1S1PR3S1PR2S1PR4PPARA
SCHEMBL31697558 0.87 S1PR1 (0.46) S1PR1S1PR3S1PR2S1PR4PPARA
SCHEMBL10778814 0.87 S1PR1 (0.46) S1PR1S1PR3S1PR2S1PR4PPARA
SCHEMBL3673431 0.87 S1PR1 (0.46) S1PR1S1PR3S1PR2S1PR4PPARA
SCHEMBL30111983 0.81 PPARA (0.36) S1PR1S1PR3S1PR2S1PR4PPARA
SCHEMBL17541053 0.80 PPARA (0.39) S1PR1S1PR3S1PR2S1PR4PPARA
SCHEMBL28981562 0.79 HTT (0.43) PPARAPPARGAPAF1MAPTTHRB
SCHEMBL30688987 0.79 HTT (0.43) PPARAPPARGAPAF1MAPTTHRB
SCHEMBL5388802 0.78 PPARA (0.39) PPARAPPARGAPAF1MAPTTHRB
SCHEMBL2780534 0.78 ENPP2 (0.45) S1PR1S1PR3S1PR2S1PR4PPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210198386-A1 FUNCTIONALISED POLYBUTADIENE SYNTHESIS PROCESS COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) 2021-07-01 US disclosed
US-9056303-B2 Method for the continuous preparation of a catalytic system that is used to polymerize a conjugated diene and installation for implementing same COMPAGNIE GENERALE DES ETABLISSEMENTS (FR) 2015-06-16 US disclosed
US-20090182106-A1 Method for the Continuous Preparation of a Catalytic System that is Used to Polymerize a Conjugated Diene and Installation for Implementing Same MICHELIN RECHERCHE ET TECHNIQUE S.A. (CH) 2009-07-16 US disclosed
US-7396889-B2 Method for preparing a diene elastomer MICHELIN RECHERCHE ET TECHNIQUE S.A. (CH) 2008-07-08 US disclosed
US-20070255029-A1 Method for preparing a diene elastomer MICHELIN RECHERCHE ET TECHNIQUE S.A. 2007-11-01 US disclosed