SCHEMBL29758249

SCHEMBL29758249

CCCCCCCCCCCC(OP(=O)(O)O)C(C)(C)C

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 4/20 0.62
PTPN1 P18031 1/20 0.50
FDPS P14324 5/20 0.48
S1PR2 O95136 5/20 0.46
S1PR1 P21453 5/20 0.46
S1PR3 Q99500 5/20 0.46
S1PR4 O95977 4/20 0.46
LAP3 P28838 2/20 0.46
LPAR3 Q9UBY5 3/20 0.44
LPAR1 Q92633 2/20 0.44
LPAR2 Q9HBW0 2/20 0.44

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
SCHEMBL29758195 1.00 SMPD1 (0.62) SMPD1PTPN1FDPSS1PR2S1PR1
SCHEMBL28982777 0.98 SMPD1 (0.61) SMPD1PTPN1FDPSS1PR2S1PR1
SCHEMBL28982769 0.98 SMPD1 (0.61) SMPD1PTPN1FDPSS1PR2S1PR1
Ammonia Solution, Strong SCHEMBL2806143 0.86 SMPD1 (0.59) SMPD1PTPN1FDPSS1PR2S1PR1
Ammonia Solution, Strong SCHEMBL670803 0.86 SMPD1 (0.59) SMPD1PTPN1FDPSS1PR2S1PR1
SCHEMBL29758202 0.83 SMPD1 (0.54) SMPD1PTPN1FDPSS1PR2S1PR1
SCHEMBL5963914 0.83 LPAR3 (0.50) SMPD1PTPN1LPAR3LPAR1LPAR2
Potassium Ion SCHEMBL28791066 0.81 SMPD1 (0.43) SMPD1PTPN1FDPSS1PR2S1PR1
Potassium Ion SCHEMBL28791020 0.81 SMPD1 (0.43) SMPD1PTPN1FDPSS1PR2S1PR1
Potassium Ion SCHEMBL28982775 0.81 SMPD1 (0.43) 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 2 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-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