⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8164516 | 0.81 | FAAH (0.31) | — | |
| SCHEMBL7021558 | 0.79 | FAAH (0.32) | — | |
| SCHEMBL7934700 | 0.78 | — | — | |
| SCHEMBL7023693 | 0.74 | FAAH (0.30) | — | |
| SCHEMBL11376456 | 0.72 | FAAH (0.33) | — | |
| SCHEMBL11370649 | 0.72 | FAAH (0.33) | — | |
| SCHEMBL11376452 | 0.72 | FAAH (0.33) | — | |
| SCHEMBL11369859 | 0.72 | FAAH (0.33) | — | |
| SCHEMBL11369858 | 0.72 | FAAH (0.33) | — | |
| SCHEMBL8163844 | 0.71 | FAAH (0.30) | — |
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-1063229-B1 | Alpha, beta-unsaturated ketones | GIVAUDAN SA (CH) | 2003-02-19 | — | — | EP | disclosed |
| EP-1063229-A1 | Alpha, beta-unsaturated ketones | Givaudan SA (CH) | 2000-12-27 | — | — | EP | disclosed |