SCHEMBL10816365

SCHEMBL10816365

O=P(O)(OCCCCCO)OP(=O)(OCCCCCO)OCCCCCO

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ LPAR3 Q9UBY5 9/20 0.39
▸ LPAR2 Q9HBW0 8/20 0.39
▸ LPAR1 Q92633 4/20 0.39
▸ CYP3A4 P08684 1/20 0.35
▸ BTN3A1 O00481 1/20 0.35
▸ SAT1 P21673 1/20 0.33
▸ MVD P53602 1/20 0.33
▸ PPARD Q03181 1/20 0.32

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
SCHEMBL9117167 0.92 CYP3A4 (0.38) LPAR3LPAR2LPAR1CYP3A4BTN3A1
SCHEMBL10815990 0.90 LPAR3 (0.43) LPAR3LPAR2LPAR1BTN3A1MVD
SCHEMBL141690 0.89 CYP3A4 (0.44) LPAR3LPAR2LPAR1CYP3A4BTN3A1
SCHEMBL8905604 0.88 CYP3A4 (0.35) LPAR3LPAR2LPAR1CYP3A4BTN3A1
SCHEMBL28408921 0.86 BTN3A1 (0.48) LPAR3LPAR2LPAR1BTN3A1MVD
SCHEMBL9551051 0.86 BTN3A1 (0.48) LPAR3LPAR2LPAR1BTN3A1MVD
SCHEMBL7747671 0.86 BTN3A1 (0.48) LPAR3LPAR2LPAR1BTN3A1MVD
SCHEMBL8837386 0.83 BTN3A1 (0.39) CYP3A4BTN3A1MVDPPARD
SCHEMBL11849399 0.83 CYP3A4 (0.50) LPAR3LPAR2LPAR1CYP3A4
SCHEMBL21122056 0.83 CYP3A4 (0.50) LPAR3LPAR2LPAR1CYP3A4

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
US-4655958-A Liquid-water displacement composition of a chlorofluorocarbon compound and a phosphate salt surfactant STAUFFER CHEMICAL COMPANY (US) 1987-04-07 — — US disclosed
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