⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4072141 | 0.82 | — | — | |
| SCHEMBL21589371 | 0.78 | — | — | |
| SCHEMBL11586039 | 0.78 | — | — | |
| SCHEMBL10014404 | 0.75 | — | — | |
| SCHEMBL9937830 | 0.73 | — | — | |
| SCHEMBL14041166 | 0.71 | — | — | |
| SCHEMBL16438032 | 0.71 | — | — | |
| SCHEMBL2755847 | 0.69 | — | — | |
| SCHEMBL28571310 | 0.69 | — | — | |
| SCHEMBL11805574 | 0.69 | CYP2C19 (0.37) | — |
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.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3010917-B1 | NOVEL SUBSTITUTED BICYCLIC COMPOUNDS AS BROMODOMAIN INHIBITORS | ZENITH EPIGENETICS LTD (CA) | 2018-01-31 | — | — | EP | disclosed |