SCHEMBL7747671

SCHEMBL7747671

O=P(O)(O)OP(=O)(O)OCCCCCCCCCCCCO

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ BTN3A1 O00481 3/20 0.48
▸ LPAR3 Q9UBY5 6/20 0.45
▸ LPAR2 Q9HBW0 5/20 0.45
▸ LPAR1 Q92633 4/20 0.45
▸ MVD P53602 3/20 0.44
▸ GGPS1 O95749 2/20 0.38

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
SCHEMBL28408921 1.00 BTN3A1 (0.48) BTN3A1LPAR3LPAR2LPAR1MVD
SCHEMBL9551051 1.00 BTN3A1 (0.48) BTN3A1LPAR3LPAR2LPAR1MVD
SCHEMBL10815990 0.91 LPAR3 (0.43) BTN3A1LPAR3LPAR2LPAR1MVD
SCHEMBL1652763 0.91 BTN3A1 (0.52) BTN3A1LPAR3LPAR2LPAR1MVD
SCHEMBL10816365 0.86 LPAR3 (0.39) BTN3A1LPAR3LPAR2LPAR1MVD
SCHEMBL28365879 0.84 LPAR3 (0.43) LPAR3LPAR2LPAR1
SCHEMBL21440353 0.84 BTN3A1 (0.57) BTN3A1LPAR3LPAR2LPAR1MVD
Putrescine SCHEMBL27732786 0.82 BTN3A1 (0.44) BTN3A1LPAR3LPAR2LPAR1MVD
SCHEMBL2575780 0.82 BTN3A1 (0.55) BTN3A1MVDGGPS1
SCHEMBL4528254 0.82 LPAR3 (0.64) LPAR3LPAR2LPAR1

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
JP-2001002694-A EXTRACTIVE SEPARATION OF NUCLEIC ACID BASE HAVING AMINO GROUP AND/OR ITS DERIVATIVE AJINOMOTO CO INC 2001-01-09 — — JP disclosed
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