SCHEMBL28860508

SCHEMBL28860508

CC(C)(CCCl)OP(=O)(O)O

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.38
FDPS P14324 2/20 0.32
GRM4 Q14833 1/20 0.32
S1PR2 O95136 1/20 0.30
S1PR4 O95977 1/20 0.30
S1PR1 P21453 1/20 0.30
S1PR3 Q99500 1/20 0.30

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
SCHEMBL4185799 0.79 SMPD1 (0.39) SMPD1FDPSGRM4S1PR2S1PR4
SCHEMBL13095381 0.79 SMPD1 (0.53) SMPD1FDPSGRM4S1PR2S1PR4
SCHEMBL1923635 0.79 SMPD1 (0.48) SMPD1FDPSS1PR2S1PR4S1PR1
SCHEMBL109892 0.76 SMPD1 (0.36) SMPD1FDPS
SCHEMBL215087 0.76 SMPD1 (0.55) SMPD1FDPSS1PR2S1PR4S1PR1
SCHEMBL6257928 0.76 SMPD1 (0.37) SMPD1GRM4
SCHEMBL10801548 0.75 SMPD1 (0.34) SMPD1
SCHEMBL9965249 0.74 SMPD1 (0.36) SMPD1GRM4
SCHEMBL2150670 0.74 SMPD1 (0.63) SMPD1FDPS
SCHEMBL6346076 0.74 SMPD1 (0.36) SMPD1GRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105683337-B Fire retardant and fire-retardancy polyurethane resin composition 大八化学工业株式会社 2018-07-03 CN disclosed