⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5852508 | 0.73 | — | — | |
| SCHEMBL2909918 | 0.72 | — | — | |
| SCHEMBL5852528 | 0.69 | EP300 (0.31) | — | |
| SCHEMBL7546482 | 0.68 | PTGS1 (0.30) | — | |
| SCHEMBL2906238 | 0.68 | TRPA1 (0.37) | — | |
| SCHEMBL14861402 | 0.68 | — | — | |
| SCHEMBL2910206 | 0.68 | — | — | |
| SCHEMBL27762207 | 0.67 | CYP1A2 (0.31) | — | |
| SCHEMBL2906197 | 0.67 | — | — | |
| SCHEMBL17634032 | 0.67 | EP300 (0.30) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20050182273-A1 | Novel alicyclic esters having a musky smell | SYMRISE AG (DE) | 2005-08-18 | — | — | US | disclosed |