⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20917734 | 1.00 | — | — | |
| Cyclohexane SCHEMBL5685318 | 0.76 | — | — | |
| SCHEMBL12870029 | 0.76 | — | — | |
| SCHEMBL907299 | 0.68 | — | — | |
| SCHEMBL20603981 | 0.68 | — | — | |
| SCHEMBL15952163 | 0.68 | — | — | |
| Phosphine SCHEMBL22499763 | 0.68 | — | — | |
| SCHEMBL9124893 | 0.68 | — | — | |
| SCHEMBL420432 | 0.68 | — | — | |
| SCHEMBL1052945 | 0.68 | — | — |
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 1 patent. 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 |