⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8612259 | 0.76 | RARB (0.32) | — | |
| SCHEMBL8609846 | 0.76 | ALDH1A1 (0.47) | — | |
| SCHEMBL16052925 | 0.71 | — | — | |
| SCHEMBL23605637 | 0.68 | MAPKAPK2 (0.38) | — | |
| SCHEMBL11824227 | 0.68 | MEN1 (0.30) | — | |
| SCHEMBL4921774 | 0.67 | TRPA1 (0.32) | — | |
| SCHEMBL9493642 | 0.65 | — | — | |
| SCHEMBL10007481 | 0.65 | TRPA1 (0.30) | — | |
| SCHEMBL10362031 | 0.64 | HIF1A (0.30) | — | |
| SCHEMBL3259380 | 0.64 | — | — |
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-0558928-B1 | Furanethers and their use as perfume | FIRMENICH & CIE (CH) | 1998-04-15 | — | — | EP | disclosed |
| US-5268355-A | Naphto(2,1-b)furan structure | FIRMENICH S.A. (CH) | 1993-12-07 | — | — | US | disclosed |
| EP-0558928-A2 | Furanethers and their use as perfume | FIRMENICH SA (CH) | 1993-09-08 | — | — | EP | disclosed |