SCHEMBL4185332

SCHEMBL4185332

CCCCCCC(C)C(OP(=O)(O)O)C(CC)CCCC.CCCCCCC(C)C(OP(=O)(O)O)C(CC)CCCC.CCCCCCC(C)C(OP(=O)(O)O)C(CC)CCCC.[Nd]

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.54
PTPN1 P18031 1/20 0.44
FDPS P14324 5/20 0.42
S1PR2 O95136 5/20 0.41
S1PR1 P21453 5/20 0.41
S1PR3 Q99500 5/20 0.41
S1PR4 O95977 4/20 0.41
LAP3 P28838 2/20 0.40
LPAR3 Q9UBY5 3/20 0.39
LPAR1 Q92633 2/20 0.39
LPAR2 Q9HBW0 2/20 0.39
LPAR5 Q9H1C0 1/20 0.37

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
SCHEMBL1995547 0.98 SMPD1 (0.56) SMPD1PTPN1FDPSS1PR2S1PR1
SCHEMBL4448119 0.87 SMPD1 (0.59) SMPD1PTPN1FDPSS1PR2S1PR1
SCHEMBL29068444 0.85 SMPD1 (0.67) SMPD1PTPN1FDPSS1PR2S1PR1
SCHEMBL29068425 0.85 SMPD1 (0.52) SMPD1PTPN1FDPSS1PR2S1PR1
SCHEMBL29068513 0.84 SMPD1 (0.63) SMPD1PTPN1FDPSS1PR2S1PR1
SCHEMBL18924828 0.83 SMPD1 (0.59) SMPD1PTPN1FDPSS1PR2S1PR1
SCHEMBL672778 0.82 SMPD1 (0.39) SMPD1FDPSS1PR2S1PR1S1PR3
SCHEMBL29068476 0.82 SMPD1 (0.55) SMPD1PTPN1FDPSS1PR2S1PR1
SCHEMBL20260300 0.81 SMPD1 (0.61) SMPD1PTPN1FDPSS1PR2S1PR1
SCHEMBL22844386 0.81 SMPD1 (0.61) SMPD1PTPN1FDPSS1PR2S1PR1

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