SCHEMBL9064989

SCHEMBL9064989

O=P(O)(OCCO)OCCCl

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
PLA2G2C Q5R387 1/20 0.33
PPARD Q03181 1/20 0.32
BTN3A1 O00481 1/20 0.31
TSHR P16473 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
Di(Hydroxyethyl)Ether SCHEMBL6401383 0.91 ALDH1A1 (0.46) ALDH1A1PLA2G2CPPARDTSHR
SCHEMBL4906432 0.90 ALDH1A1 (0.60) ALDH1A1BTN3A1TSHR
SCHEMBL28435086 0.90 ALDH1A1 (0.60) ALDH1A1BTN3A1TSHR
SCHEMBL6738698 0.87 ALDH1A1 (0.57) ALDH1A1BTN3A1TSHR
Bromide SCHEMBL10486803 0.87 ALDH1A1 (0.57) ALDH1A1BTN3A1TSHR
SCHEMBL532831 0.87 PPARD (0.39) PLA2G2CPPARDBTN3A1TSHR
SCHEMBL9719935 0.86 ALDH1A1 (0.52) ALDH1A1PPARDBTN3A1
Ammonia Solution, Strong SCHEMBL1880136 0.85 PPARD (0.37) PLA2G2CPPARDBTN3A1TSHR
SCHEMBL17930259 0.85 PPARD (0.37) PLA2G2CPPARDBTN3A1TSHR
Hydrochloric Acid SCHEMBL31256693 0.85 PPARD (0.37) PLA2G2CPPARDBTN3A1TSHR

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
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