⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13480183 | 1.00 | — | — | |
| SCHEMBL17298108 | 0.75 | — | — | |
| SCHEMBL15356607 | 0.75 | — | — | |
| SCHEMBL13480176 | 0.69 | — | — | |
| SCHEMBL19089464 | 0.69 | — | — | |
| SCHEMBL18746397 | 0.65 | — | — | |
| SCHEMBL394702 | 0.63 | — | — | |
| SCHEMBL10241555 | 0.62 | — | — | |
| SCHEMBL1387260 | 0.62 | — | — | |
| Butanedione SCHEMBL7908902 | 0.60 | — | — |
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-108473484-B | Compounds useful as TRPM8 modulators | 弗门尼舍公司 | 2021-06-29 | — | — | CN | disclosed |
| EP-2150133-A2 | PRESERVATIVE | DSM IP Assets B.V. (NL) | 2010-02-10 | — | — | EP | disclosed |
| WO-2008149102-A2 | PRESERVATIVE | DSM FOOD SPECIALITIES B.V. (NL) | 2008-12-11 | — | — | WO | disclosed |