⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11448711 | 0.72 | TSHR (0.35) | — | |
| SCHEMBL16010771 | 0.72 | TSHR (0.35) | — | |
| SCHEMBL19766425 | 0.64 | ICAM1 (0.31) | — | |
| SCHEMBL19226217 | 0.56 | — | — | |
| SCHEMBL16673531 | 0.56 | — | — | |
| SCHEMBL766223 | 0.55 | — | — | |
| SCHEMBL15727985 | 0.55 | ICAM1 (0.32) | — | |
| SCHEMBL22397284 | 0.55 | — | — | |
| SCHEMBL15727975 | 0.55 | MEN1 (0.30) | — | |
| SCHEMBL17172433 | 0.55 | CA1 (0.34) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4226892-A | Flavoring with cycloaliphatic unsaturated ketones | FIRMENICH SA (CH) | 1980-10-07 | — | — | US | disclosed |
| US-4187863-A | Cycloaliphatic unsaturated ketones as odor and taste modifying agents in tobacco products | FIRMENICH SA (CH) | 1980-02-12 | — | — | US | disclosed |
| US-3975310-A | PERFUME | FIRMENICH S.A. (CH) | 1976-08-17 | — | — | US | disclosed |
| US-3931326-A | FLAVOR, TASTE, ODOR, PERFUMES | FIRMENICH SA (CH) | 1976-01-06 | — | — | US | disclosed |