⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19260510 | 1.00 | — | — | |
| SCHEMBL19260508 | 1.00 | — | — | |
| SCHEMBL6453090 | 0.77 | — | — | |
| SCHEMBL6453087 | 0.77 | — | — | |
| SCHEMBL98083 | 0.73 | — | — | |
| SCHEMBL19260516 | 0.72 | — | — | |
| SCHEMBL22551053 | 0.72 | — | — | |
| SCHEMBL19260517 | 0.72 | — | — | |
| SCHEMBL28667628 | 0.72 | — | — | |
| SCHEMBL10632182 | 0.70 | — | — |
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 3 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 | claimed |
| EP-3416611-B1 | NOVEL ORGANOLEPTIC COMPOUNDS | INT FLAVORS & FRAGRANCES INC (US) | 2020-10-21 | — | — | EP | claimed |
| CN-108697598-B | Organoleptic compounds | 国际香料和香精公司 | 2021-11-23 | — | — | CN | disclosed |