SCHEMBL7569686

SCHEMBL7569686

COc1ccc(C(C)=O)cc1COC(c1ccc(C#N)c(-c2ccccc2C)c1)c1cncn1C

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
Hydrochloric Acid SCHEMBL7576423 0.99
SCHEMBL7090750 0.86
Hydrochloric Acid SCHEMBL7575308 0.85
SCHEMBL7086768 0.84
SCHEMBL7086763 0.84
SCHEMBL7572316 0.84
SCHEMBL7569395 0.84
Hydrochloric Acid SCHEMBL7575968 0.83
Hydrochloric Acid SCHEMBL7575040 0.83
SCHEMBL7089515 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-20020019527-A1 Substituted phenyl farnesyltransferase inhibitors ABBOTT LABORATORIES 2002-02-14 US disclosed