⚠ 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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL1971372 | 0.75 | KDM4E (0.32) | — | |
| SCHEMBL1965981 | 0.71 | CYP17A1 (0.30) | — | |
| SCHEMBL18132189 | 0.71 | AOC1 (0.35) | — | |
| SCHEMBL17654268 | 0.68 | BACE1 (0.30) | — | |
| SCHEMBL405529 | 0.67 | — | — | |
| SCHEMBL15063730 | 0.65 | — | — | |
| SCHEMBL2067407 | 0.64 | KDM4E (0.32) | — | |
| SCHEMBL2066991 | 0.64 | — | — | |
| SCHEMBL3432939 | 0.64 | — | — | |
| SCHEMBL558368 | 0.64 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2334683-B1 | SATURATED BICYCLIC HETEROCYCLIC DERIVATIVES AS SMO ANTAGONISTS | MSD ITALIA SRL (IT) | 2017-03-22 | — | — | EP | disclosed |
| US-8470823-B2 | Saturated bicyclic heterocyclic derivatives as SMO antagonists | INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.R.L. (IT) | 2013-06-25 | — | — | US | disclosed |
| US-20110183989-A1 | SATURATED BICYCLIC HETEROCYCLIC DERIVATIVES AS SMO ANTAGONISTS | Instituto di Ricerche di Biologia Molecolare P. Ang | 2011-07-28 | — | — | US | disclosed |
| EP-2334683-A1 | SATURATED BICYCLIC HETEROCYCLIC DERIVATIVES AS SMO ANTAGONISTS | Istituto di ricerche di Biologia Molecolare P. Angeletti S.R.L. (IT) | 2011-06-22 | — | — | EP | disclosed |
| WO-2010023480-A1 | SATURATED BICYCLIC HETEROCYCLIC DERIVATIVES AS SMO ANTAGONISTS | ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) | 2010-03-04 | — | — | WO | disclosed |