⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9874552 | 1.00 | — | — | |
| SCHEMBL27451154 | 0.82 | — | — | |
| SCHEMBL18997091 | 0.81 | NPC1 (0.37) | — | |
| SCHEMBL16939336 | 0.81 | NPC1 (0.32) | — | |
| SCHEMBL10433947 | 0.81 | — | — | |
| SCHEMBL5642783 | 0.79 | NPC1 (0.40) | — | |
| SCHEMBL15130024 | 0.78 | — | — | |
| SCHEMBL15130022 | 0.78 | — | — | |
| SCHEMBL15130023 | 0.78 | — | — | |
| SCHEMBL25464247 | 0.76 | — | — |
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-4990495-A | Conferring, enhancing, improving or modifying odor properties | FIRMENICH S.A. (CH) | 1991-02-05 | — | — | US | disclosed |
| EP-0374445-A1 | Oxygenated cyclic compounds, their use as perfuming ingredients, process for their preparation | FIRMENICH SA (CH) | 1990-06-27 | — | — | EP | disclosed |