⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9163158 | 0.87 | TRPV1 (0.30) | — | |
| SCHEMBL3271093 | 0.77 | ADH1A (0.32) | — | |
| SCHEMBL16191143 | 0.75 | — | — | |
| SCHEMBL3276795 | 0.75 | ADH1A (0.36) | — | |
| SCHEMBL13856990 | 0.73 | — | — | |
| SCHEMBL10012993 | 0.73 | — | — | |
| SCHEMBL8613477 | 0.72 | S1PR4 (0.37) | — | |
| SCHEMBL30980356 | 0.71 | — | — | |
| SCHEMBL23175342 | 0.71 | — | — | |
| SCHEMBL15414372 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0211954-B1 | USE OF (+/-)-CIS-GAMMA-IRONE IN PERFUMERY AND NOVEL PROCESS FOR PREPARING SAME | T. HASEGAWA COMPANY, LTD. (JP) | 1991-07-17 | — | — | EP | disclosed |
| EP-0211954-A1 | USE OF (+/-)-CIS-GAMMA-IRONE IN PERFUMERY AND NOVEL PROCESS FOR PREPARING SAME | T. HASEGAWA COMPANY, LTD. (JP) | 1987-03-04 | — | — | EP | disclosed |