SCHEMBL9064693

SCHEMBL9064693

C=CC(CC)(CC)OP(=O)(O)OP(=O)(O)O

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BTN3A1 O00481 4/20 0.38
FDPS P14324 1/20 0.32
BLM P54132 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
FNTA P49354 7/20 0.32
PGGT1B P53609 5/20 0.32
FNTB P49356 5/20 0.32
LPAR2 Q9HBW0 1/20 0.31
LPAR3 Q9UBY5 1/20 0.31
SMPD1 P17405 1/20 0.30

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
SCHEMBL9066468 0.84 SMPD1 (0.37) LPAR2LPAR3SMPD1
SCHEMBL156446 0.76 BTN3A1 (0.38) BTN3A1FDPSBLMTDP1FNTA
SCHEMBL18527014 0.76 TSHR (0.31)
Ammonia Solution, Strong SCHEMBL3690678 0.75 BTN3A1 (0.37) BTN3A1FDPSBLMTDP1FNTA
Pyrophosphoric Acid SCHEMBL3890468 0.75 FDPS (0.42) BTN3A1FDPSBLMTDP1FNTA
Ammonia Solution, Strong SCHEMBL3690680 0.75 BTN3A1 (0.37) BTN3A1FDPSBLMTDP1FNTA
SCHEMBL11310254 0.74 LPAR2 (0.34) LPAR2LPAR3SMPD1
SCHEMBL6706861 0.74 BTN3A1 (0.39) BTN3A1FDPSBLMTDP1FNTA
SCHEMBL18486678 0.73 BTN3A1 (0.36) BTN3A1FDPSBLMTDP1FNTA
SCHEMBL28766325 0.72 BTN3A1 (0.42) BTN3A1FDPSBLMTDP1LPAR2

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
EP-0528113-B1 Method of preparing flame-retarding expandable poly-phenylene ether/polystyrene graft copolymers GEN ELECTRIC (US) 1996-10-23 EP claimed
EP-0528113-B1 Method of preparing flame-retarding expandable poly-phenylene ether/polystyrene graft copolymers GEN ELECTRIC (US) 1996-10-23 EP disclosed
EP-0528113-A1 Method of preparing flame-retarding expandable poly-phenylene ether/polystyrene graft copolymers GENERAL ELECTRIC COMPANY (US) 1993-02-24 EP disclosed