SCHEMBL29758198

SCHEMBL29758198

CCCCCCCCCCCCCCCCCC(CCC)OP(=O)(O)O

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.67
PTPN1 P18031 1/20 0.53
FDPS P14324 5/20 0.52
S1PR2 O95136 5/20 0.49
S1PR1 P21453 5/20 0.49
S1PR3 Q99500 5/20 0.49
S1PR4 O95977 4/20 0.49
LAP3 P28838 2/20 0.48
LPAR3 Q9UBY5 4/20 0.47
LPAR1 Q92633 3/20 0.47
LPAR2 Q9HBW0 2/20 0.47

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
SCHEMBL3632792 1.00 SMPD1 (0.67) SMPD1PTPN1FDPSS1PR2S1PR1
SCHEMBL3626022 1.00 SMPD1 (0.67) SMPD1PTPN1FDPSS1PR2S1PR1
SCHEMBL27486860 1.00 SMPD1 (0.67) SMPD1PTPN1FDPSS1PR2S1PR1
SCHEMBL3624518 1.00 SMPD1 (0.67) SMPD1PTPN1FDPSS1PR2S1PR1
SCHEMBL14368863 1.00 SMPD1 (0.67) SMPD1PTPN1FDPSS1PR2S1PR1
SCHEMBL10690779 1.00 SMPD1 (0.67) SMPD1PTPN1FDPSS1PR2S1PR1
SCHEMBL28982704 0.98 SMPD1 (0.65) SMPD1PTPN1FDPSS1PR2S1PR1
SCHEMBL3629609 0.98 SMPD1 (0.65) SMPD1PTPN1FDPSS1PR2S1PR1
SCHEMBL3631672 0.98 SMPD1 (0.65) SMPD1PTPN1FDPSS1PR2S1PR1
SCHEMBL4941232 0.98 SMPD1 (0.63) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114806601-A Alkyl phosphinate composition and preparation method and application thereof 江苏利思德新材料有限公司 2022-07-29 CN claimed
CN-114806601-B Alkyl phosphinate composition and preparation method and application thereof 江苏利思德新材料有限公司 2023-04-07 CN disclosed
CN-114806601-A Alkyl phosphinate composition and preparation method and application thereof 江苏利思德新材料有限公司 2022-07-29 CN disclosed