SCHEMBL29948842

SCHEMBL29948842

CCCCCCC(C)C(C(CC)CCCC)P(=O)([O-])[O-].CCCCCCC(C)C(C(CC)CCCC)P(=O)([O-])[O-].CCCCCCC(C)C(C(CC)CCCC)P(=O)([O-])[O-].[Nd+3].[Nd+3]

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.38
FDPS P14324 4/20 0.37
GGPS1 O95749 2/20 0.36
TRPM8 Q7Z2W7 4/20 0.36
S1PR2 O95136 5/20 0.36
S1PR1 P21453 5/20 0.36
S1PR3 Q99500 5/20 0.36
S1PR4 O95977 4/20 0.36
LAP3 P28838 1/20 0.35
CA2 P00918 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
SCHEMBL2773362 0.82 FDPS (0.50) SMPD1FDPSS1PR2S1PR1S1PR3
SCHEMBL672778 0.75 SMPD1 (0.39) SMPD1FDPSGGPS1TRPM8S1PR2
SCHEMBL26770475 0.72 OPRM1 (0.44) SMPD1FDPS
SCHEMBL18608161 0.72 OPRM1 (0.44) SMPD1CA2
SCHEMBL20746369 0.72 DNM1 (0.50) SMPD1FDPSCA2
SCHEMBL20746325 0.72 DNM1 (0.50) SMPD1FDPSCA2
SCHEMBL2046216 0.72 FDPS (0.38) FDPSGGPS1TRPM8CA2
SCHEMBL28846487 0.72 TSHR (0.50) SMPD1FDPS
SCHEMBL28399942 0.72 TSHR (0.50) SMPD1FDPS
SCHEMBL28264637 0.72 TSHR (0.50) SMPD1FDPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3883974-B1 POLYMER COMPOSITION AND A METHOD FOR PREPARING THEREOF SIBUR HOLDING PUBLIC JOINT STOCK CO (RU) 2025-09-03 EP disclosed
EP-4098666-A1 METHOD FOR PRODUCING MODIFIED POLYDIENES (VARIANTS) Public Joint Stock Company "Sibur Holding" (PJSC "Sibur Holding") (RU) 2022-12-07 EP disclosed
EP-4077410-A1 BRANCHED POLYDIENES, RUBBER COMPOSITIONS BASED ON THEREOF Public Joint Stock Company "Sibur Holding" (PJSC "Sibur Holding") (RU) 2022-10-26 EP disclosed