⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19259398 | 1.00 | — | — | |
| SCHEMBL13719310 | 0.79 | — | — | |
| SCHEMBL13719405 | 0.79 | — | — | |
| SCHEMBL207415 | 0.77 | — | — | |
| SCHEMBL719636 | 0.72 | — | — | |
| SCHEMBL1657526 | 0.72 | — | — | |
| SCHEMBL14367711 | 0.72 | — | — | |
| SCHEMBL1074335 | 0.72 | — | — | |
| SCHEMBL9220036 | 0.72 | — | — | |
| SCHEMBL11744569 | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3416943-B1 | ORGANIC COMPOUNDS | GIVAUDAN SA (CH) | 2020-04-01 | — | — | EP | disclosed |
| US-10343971-B2 | Crotonates having use in perfumery | GIVAUDAN SA (CH) | 2019-07-09 | — | — | US | disclosed |
| US-20190023643-A1 | Organic Compounds | GIVAUDAN SA (CH) | 2019-01-24 | — | — | US | disclosed |
| EP-3416943-A1 | ORGANIC COMPOUNDS | Givaudan SA (CH) | 2018-12-26 | — | — | EP | disclosed |
| WO-2017140733-A1 | ORGANIC COMPOUNDS | GIVAUDAN SA (CH) | 2017-08-24 | — | — | WO | disclosed |