SCHEMBL9064261

SCHEMBL9064261

O=P(O)(OCCCl)OCCBr

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
BTN3A1 O00481 1/20 0.31

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
SCHEMBL5827133 0.88 BTN3A1 (0.35) BTN3A1
SCHEMBL4906432 0.88 ALDH1A1 (0.60) ALDH1A1BTN3A1
SCHEMBL28435086 0.88 ALDH1A1 (0.60) ALDH1A1BTN3A1
SCHEMBL6738698 0.85 ALDH1A1 (0.57) ALDH1A1BTN3A1
SCHEMBL11316200 0.85 BTN3A1 (0.34) BTN3A1
Bromide SCHEMBL10486803 0.85 ALDH1A1 (0.57) ALDH1A1BTN3A1
Ethyl Chloride SCHEMBL11788111 0.81 ALDH1A1 (0.52) ALDH1A1BTN3A1
SCHEMBL10627755 0.81 ALDH1A1 (0.75) ALDH1A1
SCHEMBL17180840 0.79
SCHEMBL28788093 0.79 ALDH1A1 (0.50) ALDH1A1BTN3A1

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 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
US-3968188-A Process for preparing the pentaerythritol ester of phosphorohalidous acid MONSANTO COMPANY (US) 1976-07-06 US disclosed