⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9227169 | 0.79 | — | — | |
| SCHEMBL4366460 | 0.76 | ALOX15 (0.33) | — | |
| SCHEMBL12265750 | 0.75 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL8570348 | 0.74 | — | — | |
| SCHEMBL8600566 | 0.74 | — | — | |
| SCHEMBL8570350 | 0.74 | — | — | |
| SCHEMBL13683362 | 0.72 | — | — | |
| SCHEMBL11145393 | 0.70 | — | — | |
| SCHEMBL23531306 | 0.69 | ALDH1A1 (0.31) | — | |
| SCHEMBL1404282 | 0.69 | ALDH1A1 (0.31) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0676393-B1 | Cyclic ketones and their use in perfumery | FIRMENICH & CIE (CH) | 1998-08-19 | — | — | EP | disclosed |
| EP-0676393-A1 | Cyclic ketones and their use in perfumery | FIRMENICH SA (CH) | 1995-10-11 | — | — | EP | disclosed |