SCHEMBL28575442

SCHEMBL28575442

O=P(O)(O)OP(=O)(O)OCCOCC(Br)CBr

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BTN3A1 O00481 4/20 0.41
MVD P53602 4/20 0.38
PNP P00491 1/20 0.33
ENPP1 P22413 1/20 0.33
POLG P54098 1/20 0.32
LPAR5 Q9H1C0 1/20 0.30
LPAR1 Q92633 1/20 0.30
LPAR3 Q9UBY5 1/20 0.30
GGPS1 O95749 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
SCHEMBL5951518 0.81 BTN3A1 (0.38) BTN3A1MVDENPP1LPAR1LPAR3
SCHEMBL10755891 0.78 BTN3A1 (0.55) BTN3A1MVDPNPENPP1POLG
SCHEMBL7531145 0.75 BTN3A1 (0.61) BTN3A1MVDGGPS1
SCHEMBL481474 0.72 ALDH1A1 (0.36)
SCHEMBL2239094 0.72 PGK1 (0.45) LPAR5LPAR1
SCHEMBL29174378 0.71 BTN3A1 (0.57) BTN3A1MVDPOLGGGPS1
SCHEMBL11599355 0.71 BTN3A1 (0.33) BTN3A1MVDLPAR1LPAR3
SCHEMBL8904065 0.71 BTN3A1 (0.48) BTN3A1MVDPNPENPP1POLG
SCHEMBL28090650 0.71 BTN3A1 (0.48) BTN3A1MVDPNPENPP1POLG
SCHEMBL15524615 0.70 FDPS (0.32)

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
CN-110283404-B Halogen-free flame-retardant PVC material and preparation method thereof 杭州唐邦塑胶有限公司 2021-06-22 CN claimed
CN-110283404-B Halogen-free flame-retardant PVC material and preparation method thereof 杭州唐邦塑胶有限公司 2021-06-22 CN disclosed
CN-110283404-B Halogen-free flame-retardant PVC material and preparation method thereof 杭州唐邦塑胶有限公司 2021-06-22 CN disclosed