⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19260485 | 1.00 | — | — | |
| SCHEMBL4045352 | 0.82 | ALDH1A1 (0.36) | — | |
| SCHEMBL27738561 | 0.77 | ALDH1A1 (0.33) | — | |
| SCHEMBL11880484 | 0.75 | ALDH1A1 (0.32) | — | |
| SCHEMBL11880477 | 0.75 | ALDH1A1 (0.32) | — | |
| SCHEMBL11883282 | 0.75 | ALDH1A1 (0.32) | — | |
| SCHEMBL3087073 | 0.75 | — | — | |
| SCHEMBL20097985 | 0.75 | LMNA (0.33) | — | |
| SCHEMBL20436489 | 0.74 | — | — | |
| SCHEMBL13347788 | 0.72 | ALDH1A1 (0.43) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108697598-B | Organoleptic compounds | 国际香料和香精公司 | 2021-11-23 | — | — | CN | disclosed |
| US-11091418-B2 | Organoleptic compounds | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 2021-08-17 | — | — | US | disclosed |
| US-20200331834-A1 | NOVEL ORGANOLEPTIC COMPOUNDS | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 2020-10-22 | — | — | US | disclosed |
| EP-3416611-B1 | NOVEL ORGANOLEPTIC COMPOUNDS | INT FLAVORS & FRAGRANCES INC (US) | 2020-10-21 | — | — | EP | disclosed |
| EP-3416611-A1 | NOVEL ORGANOLEPTIC COMPOUNDS | International Flavors & Fragrances Inc. (US) | 2018-12-26 | — | — | EP | disclosed |
| WO-2017143187-A1 | NOVEL ORGANOLEPTIC COMPOUNDS | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 2017-08-24 | — | — | WO | disclosed |
| WO-2017143187-A1 | NOVEL ORGANOLEPTIC COMPOUNDS | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 2017-08-24 | — | — | WO | disclosed |