⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12810231 | 0.75 | — | — | |
| SCHEMBL27607913 | 0.73 | — | — | |
| 2-Methyl-(E)-2-Pentenal SCHEMBL27770474 | 0.70 | ALDH1A1 (0.33) | — | |
| SCHEMBL14472489 | 0.70 | — | — | |
| SCHEMBL5168059 | 0.69 | — | — | |
| SCHEMBL29157735 | 0.69 | — | — | |
| SCHEMBL4657799 | 0.69 | — | — | |
| SCHEMBL20446724 | 0.67 | — | — | |
| SCHEMBL15356605 | 0.65 | — | — | |
| 2-Methyl-(E)-2-Pentenal SCHEMBL11038977 | 0.65 | ALDH1A1 (0.39) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101494999-A | Method for using organic compound | GIVAUDAN SA (CH) | 2009-07-29 | — | — | CN | claimed |
| CN-108473484-B | Compounds useful as TRPM8 modulators | 弗门尼舍公司 | 2021-06-29 | — | — | CN | disclosed |
| CN-108473484-A | Compounds useful as TRPM8 modulators | 赛诺米克斯公司 | 2018-08-31 | — | — | CN | disclosed |
| EP-2150133-A2 | PRESERVATIVE | DSM IP Assets B.V. (NL) | 2010-02-10 | — | — | EP | disclosed |
| CN-101494999-A | Method for using organic compound | GIVAUDAN SA (CH) | 2009-07-29 | — | — | CN | disclosed |
| WO-2008149102-A2 | PRESERVATIVE | DSM FOOD SPECIALITIES B.V. (NL) | 2008-12-11 | — | — | WO | disclosed |