SCHEMBL27991909

SCHEMBL27991909

C#CCOCC#C.OC(O)(O)CP(c1ccccc1)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.35
▸ MAOB P27338 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
SCHEMBL28069918 0.82 CYP3A4 (0.39) —
SCHEMBL28132217 0.77 NPC1 (0.34) NPC1MAOB
Diphenylether SCHEMBL28238922 0.70 LTA4H (0.55) NPC1MAOB
Phenol SCHEMBL11797155 0.70 CA12 (0.50) NPC1MAOB
Biphenyl SCHEMBL5533056 0.69 ALDH1A1 (0.45) NPC1MAOB
SCHEMBL27697273 0.69 NPC1 (0.37) NPC1MAOB
Benzene SCHEMBL27717162 0.68 TSHR (0.42) NPC1MAOB
Diphenylether SCHEMBL27793224 0.67 LTA4H (0.55) NPC1
SCHEMBL8763939 0.66 CYP3A4 (0.36) —
SCHEMBL685638 0.66 CYP3A4 (0.36) —

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
CN-104321464-A Selective coating of exposed copper on silver-plated copper HENKEL CORP 2015-01-28 — — CN disclosed
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