SCHEMBL29052003

SCHEMBL29052003

O=P(O)(O)OC(CCCl)(CCCl)CCCCl

nearest known ligand 0.36

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.36

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
SCHEMBL2400126 0.83 SMPD1 (0.59) SMPD1
SCHEMBL8862740 0.83 SMPD1 (0.34) SMPD1
SCHEMBL28653187 0.74 SMPD1 (0.57) SMPD1
SCHEMBL109892 0.73 SMPD1 (0.36) SMPD1
SCHEMBL11354186 0.72 SMPD1 (0.34) SMPD1
SCHEMBL25174113 0.71 SMPD1 (0.69) SMPD1
SCHEMBL11670984 0.71 SMPD1 (0.69) SMPD1
SCHEMBL9659284 0.71 SMPD1 (0.69) SMPD1
SCHEMBL11841083 0.71 SMPD1 (0.69) SMPD1
SCHEMBL8567245 0.71 SMPD1 (0.69) SMPD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116183802-B Rapid detection method and application of multiple semi-volatile organic compounds in atmospheric particulate matter PM2.5 生态环境部华南环境科学研究所(生态环境部生态环境应急研究所) 2023-10-13 CN disclosed
CN-116183802-A Rapid detection method and application of multiple semi-volatile organic compounds in atmospheric particulate matter PM2.5 生态环境部华南环境科学研究所(生态环境部生态环境应急研究所) 2023-05-30 CN disclosed