SCHEMBL11545662

SCHEMBL11545662

CC1=CCP(=O)(c2ccc(Br)cc2)C1

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.68
▸ ALDH1A1 P00352 1/20 0.33

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
SCHEMBL23748746 0.71 CYP2A6 (0.38) HPGDALDH1A1
SCHEMBL23748747 0.67 CYP2A6 (0.38) HPGDALDH1A1
SCHEMBL23749704 0.64 ALDH1A1 (0.42) ALDH1A1
SCHEMBL18837824 0.60 — —
SCHEMBL4603151 0.58 HPGD (0.61) HPGD
SCHEMBL9566982 0.57 — —
SCHEMBL11367086 0.55 HPGD (0.59) HPGD
SCHEMBL17447185 0.55 ACHE (0.38) HPGDALDH1A1
SCHEMBL18508 0.54 — —
SCHEMBL6241309 0.54 — —

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-4162276-A CONTAINING A HEXAALKOXYMETHYLMELAMINE, ORGANIC HALOGEN COMPOUND, A PHOSPHOCYCLOPENTANE-1-OXIDE UNIROYAL, INC. (US) 1979-07-24 — — US disclosed
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