SCHEMBL640361

SCHEMBL640361

CCCCCCCCCc1ccc(OP(=O)([O-])OCC(CC)CCCC)cc1.CCCCCCCCCc1ccc(OP(=O)([O-])OCC(CC)CCCC)cc1.[Ni+2]

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
S1PR1 P21453 8/20 0.46
S1PR4 O95977 6/20 0.46
S1PR3 Q99500 6/20 0.46
S1PR2 O95136 3/20 0.46
S1PR5 Q9H228 4/20 0.45
ENPP2 Q13822 1/20 0.40
PPARA Q07869 1/20 0.38
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38

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
SCHEMBL671935 0.98 S1PR1 (0.48) CYP3A4L3MBTL1S1PR1S1PR4S1PR3
SCHEMBL7872461 0.98 CYP3A4 (0.46) CYP3A4L3MBTL1S1PR1S1PR4S1PR3
SCHEMBL30250258 0.98 CYP3A4 (0.46) CYP3A4L3MBTL1S1PR1S1PR4S1PR3
SCHEMBL151363 0.98 CYP3A4 (0.46) CYP3A4L3MBTL1S1PR1S1PR4S1PR3
SCHEMBL30250227 0.98 CYP3A4 (0.46) CYP3A4L3MBTL1S1PR1S1PR4S1PR3
SCHEMBL674608 0.87 CYP3A4 (0.56) CYP3A4L3MBTL1S1PR1S1PR4S1PR3
SCHEMBL10778815 0.85 S1PR1 (0.52) CYP3A4L3MBTL1S1PR1S1PR4S1PR3
SCHEMBL384208 0.85 S1PR1 (0.52) CYP3A4L3MBTL1S1PR1S1PR4S1PR3
SCHEMBL639371 0.84 S1PR1 (0.46) CYP3A4S1PR1S1PR4S1PR3S1PR2
SCHEMBL640962 0.83 CYP3A4 (0.48) CYP3A4L3MBTL1S1PR1S1PR4S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113825777-B Modified high cis polybutadiene polymers, related methods and tire components 株式会社普利司通 2025-01-28 CN disclosed
CN-118574860-A Hydrogenated polybutadiene polymer and rubber composition containing the same 株式会社普利司通 2024-08-30 CN disclosed
CN-113906058-B Modified high cis polybutadiene polymers, related methods and rubber compositions 普利司通美国轮胎运营有限责任公司 2024-05-17 CN disclosed
US-20230144912-A1 METAL-BASED CATALYST FOR PRODUCING POLYDIENES BRIDGESTONE AMERICAS TIRE OPERATIONS, LLC 2023-05-11 US disclosed
EP-4126983-A1 METAL-BASED CATALYST FOR PRODUCING POLYDIENES Bridgestone Americas Tire Operations, LLC (US) 2023-02-08 EP disclosed
CN-115461382-A Metal-based catalyst for the production of polydienes 普利司通美国轮胎运营有限责任公司 2022-12-09 CN disclosed
US-20130137838-A1 NICKEL-BASED CATALYST COMPOSITION BRIDGESTONE CORPORATION (JP) 2013-05-30 US disclosed
US-8119736-B2 Branched polymers and methods for their synthesis and use BRIDGESTONE CORPORATION (JP) 2012-02-21 US disclosed
WO-2011047021-A1 PROCESSES FOR PREPARATION OF CYCLIC ACYCLIC DIENE COPOLYMER AND RUBBER COMPOSITION BRIDGESTONE CORPORATION (JP) 2011-04-21 WO disclosed
US-20100137520-A1 Branched Polymers and Methods for Their Synthesis and Use BRIDGESTONE CORPORATION (JP) 2010-06-03 US disclosed