⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL262285 | 0.79 | — | — | |
| SCHEMBL28563300 | 0.70 | — | — | |
| SCHEMBL262361 | 0.70 | — | — | |
| SCHEMBL28573612 | 0.70 | — | — | |
| SCHEMBL16590794 | 0.69 | — | — | |
| SCHEMBL8048300 | 0.69 | — | — | |
| SCHEMBL14457776 | 0.67 | — | — | |
| SCHEMBL3185033 | 0.67 | — | — | |
| SCHEMBL28612816 | 0.67 | ALDH1A1 (0.30) | — | |
| SCHEMBL2519549 | 0.66 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4673533-A | Oxobicyclononane derivatives, process for producing same and organoleptic uses thereof | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1987-06-16 | — | — | US | disclosed |
| US-4634547-A | PERFUMES, DETERGENTS, FABRIC SOFTENERS, POLYMERS | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1987-01-06 | — | — | US | disclosed |