⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL843371 | 0.80 | CHRM2 (0.69) | — | |
| Methane SCHEMBL28948442 | 0.78 | CHRM2 (0.67) | — | |
| SCHEMBL23823019 | 0.78 | — | — | |
| Furfuryl Alcohol SCHEMBL1436757 | 0.77 | ALDH1A1 (0.47) | — | |
| Furfuryl Alcohol SCHEMBL37326 | 0.77 | — | — | |
| SCHEMBL1642902 | 0.76 | CHRM2 (0.77) | — | |
| SCHEMBL18539285 | 0.76 | — | — | |
| SCHEMBL28830272 | 0.76 | — | — | |
| SCHEMBL2086456 | 0.76 | — | — | |
| SCHEMBL10089576 | 0.76 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20240294470-A1 | FRAGRANCE COMPOUNDS | GIVAUDAN SA (CH) | 2024-09-05 | — | — | US | disclosed |
| EP-4355728-A1 | FRAGRANCE COMPOUNDS | Givaudan SA (CH) | 2024-04-24 | — | — | EP | disclosed |
| CN-117500783-A | Perfume compounds | 奇华顿股份有限公司 | 2024-02-02 | — | — | CN | disclosed |
| WO-2022261956-A1 | FRAGRANCE COMPOUNDS | GIVAUDAN SA (CH) | 2022-12-22 | — | — | WO | disclosed |
| WO-2022263605-A1 | FRAGRANCE COMPOUNDS | GIVAUDAN SA (CH) | 2022-12-22 | — | — | WO | disclosed |
| EP-2607437-B1 | Siloxane nitrones and their application | EVONIK INDUSTRIES AG (DE) | 2014-09-03 | — | — | EP | disclosed |
| US-8722836-B2 | Siloxane nitrones and use thereof | EVONIK INDUSTRIES AG (DE) | 2014-05-13 | — | — | US | disclosed |
| US-20130261201-A1 | Siloxane Nitrones and Use Thereof | EVONIK INDUSTRIES AG (DE) | 2013-10-03 | — | — | US | disclosed |
| EP-2607437-A1 | Siloxane nitrones and their application | Evonik Industries AG (DE) | 2013-06-26 | — | — | EP | disclosed |