⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7776198 | 1.00 | — | — | |
| SCHEMBL758157 | 0.85 | FAAH (0.31) | — | |
| SCHEMBL7771926 | 0.84 | FAAH (0.31) | — | |
| SCHEMBL2585972 | 0.82 | — | — | |
| SCHEMBL2585973 | 0.82 | — | — | |
| SCHEMBL19277700 | 0.73 | HDAC4 (0.33) | — | |
| SCHEMBL7776586 | 0.72 | — | — | |
| SCHEMBL7776052 | 0.71 | — | — | |
| SCHEMBL7771819 | 0.71 | POLB (0.32) | — | |
| SCHEMBL19277945 | 0.70 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0913383-B1 | New spirocyclic compounds | GIVAUDAN SA (CH) | 2001-09-05 | — | — | EP | claimed |
| US-6114300-A | PERFUMES | GIVAUDAN ROURE (INTERNATIONAL) SA (CH) | 2000-09-05 | — | — | US | claimed |
| EP-0913383-A1 | New spirocyclic compounds | Givaudan Roure (International) S.A. (CH) | 1999-05-06 | — | — | EP | claimed |