SCHEMBL9504088

SCHEMBL9504088

CC(C)(C)P(=O)(O)O.CCCCP(=O)(O)O

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 3/20 0.62
LPAR2 Q9HBW0 1/20 0.62
S1PR2 O95136 6/20 0.50
S1PR1 P21453 6/20 0.50
S1PR3 Q99500 6/20 0.50
S1PR4 O95977 5/20 0.50
S1PR5 Q9H228 2/20 0.50
TYMS P04818 1/20 0.50
FDPS P14324 7/20 0.45
GGPS1 O95749 4/20 0.45
GABBR2 O75899 1/20 0.45
GABRR1 P24046 1/20 0.45
GABBR1 Q9UBS5 1/20 0.45

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
SCHEMBL59054 0.87
SCHEMBL20140632 0.85
Ammonia Solution, Strong SCHEMBL11876105 0.85
SCHEMBL28734397 0.85
SCHEMBL17626425 0.85 LPAR3 (0.75) LPAR3LPAR2S1PR2S1PR1S1PR3
Phosphoric Acid SCHEMBL23466792 0.85 LPAR3 (0.75) LPAR3LPAR2S1PR2S1PR1S1PR3
Hydrochloric Acid SCHEMBL2150508 0.85 LPAR3 (0.75) LPAR3LPAR2S1PR2S1PR1S1PR3
SCHEMBL16816919 0.85
SCHEMBL9583412 0.85
Ammonia Solution, Strong SCHEMBL11876098 0.85 LPAR3 (0.75) LPAR3LPAR2S1PR2S1PR1S1PR3

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-5247060-A Curing phthalonitriles with acid THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1993-09-21 US disclosed