⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9495399 | 0.80 | RARB (0.38) | — | |
| SCHEMBL8634137 | 0.79 | — | — | |
| SCHEMBL8612259 | 0.69 | RARB (0.32) | — | |
| SCHEMBL9494468 | 0.65 | TRPA1 (0.37) | — | |
| SCHEMBL16052925 | 0.62 | — | — | |
| SCHEMBL11824227 | 0.59 | MEN1 (0.30) | — | |
| SCHEMBL10362031 | 0.58 | HIF1A (0.30) | — | |
| SCHEMBL8612375 | 0.56 | ALDH1A1 (0.39) | — | |
| SCHEMBL487316 | 0.55 | ALDH1A1 (0.50) | — | |
| SCHEMBL2586277 | 0.54 | ALDH1A1 (0.36) | — |
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-5268355-A | Naphto(2,1-b)furan structure | FIRMENICH S.A. (CH) | 1993-12-07 | — | — | US | disclosed |