SCHEMBL9731561

SCHEMBL9731561

CCC#CCC(C)(C)C(=O)/C(Br)=C/[C@@H]1[C@H]2CC3(C[C@H]2C[C@H]1OC(=O)c1ccccc1)OCCO3

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 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
SCHEMBL9731567 1.00 ABCB1 (0.31) ABCB1
SCHEMBL9732106 0.93 ABCB1 (0.31) ABCB1
SCHEMBL9732110 0.93 ABCB1 (0.31) ABCB1
SCHEMBL9786417 0.84 BCHE (0.33) —
SCHEMBL9731526 0.84 BCHE (0.33) —
SCHEMBL9786407 0.84 BCHE (0.33) —
SCHEMBL9786420 0.84 BCHE (0.33) —
SCHEMBL9786406 0.84 BCHE (0.33) —
SCHEMBL9731529 0.84 BCHE (0.33) —
SCHEMBL9732018 0.83 — —

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-5157042-A 3-OXA-5-FLUORO-CARBACYCLINS, THEIR PREPARATION AND USE AS MEDICINAL AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 1992-10-20 — — US disclosed
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