⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5231042 | 1.00 | — | — | |
| SCHEMBL2105780 | 1.00 | — | — | |
| SCHEMBL21827626 | 0.76 | — | — | |
| SCHEMBL20494381 | 0.76 | — | — | |
| SCHEMBL181060 | 0.76 | — | — | |
| SCHEMBL5827395 | 0.72 | — | — | |
| SCHEMBL1144298 | 0.72 | — | — | |
| SCHEMBL61473 | 0.72 | — | — | |
| SCHEMBL4076041 | 0.70 | SLC18A3 (0.32) | — | |
| SCHEMBL21722696 | 0.69 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230293406-A1 | Compositions Comprising (Bio)-Alkanediols and Cooling Agents | SYMRISE AG (DE) | 2023-09-21 | — | — | US | disclosed |
| CN-115279328-A | Structured rheological solid compositions | 宝洁公司 | 2022-11-01 | — | — | CN | disclosed |
| CN-108473484-B | Compounds useful as TRPM8 modulators | 弗门尼舍公司 | 2021-06-29 | — | — | CN | disclosed |
| EP-1896557-B1 | FLAVOR AND FRAGRANCE COMPOSITION | TAKASAGO PERFUMERY CO LTD (JP) | 2010-05-05 | — | — | EP | disclosed |