⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25474034 | 0.73 | — | — | |
| SCHEMBL15227358 | 0.72 | — | — | |
| SCHEMBL6013582 | 0.72 | — | — | |
| SCHEMBL12849949 | 0.72 | TAS2R38 (0.30) | — | |
| SCHEMBL436298 | 0.67 | — | — | |
| SCHEMBL10351302 | 0.67 | F2 (0.37) | — | |
| Propane SCHEMBL28126878 | 0.65 | ALDH1A1 (0.32) | — | |
| SCHEMBL28210212 | 0.63 | PHF8 (0.35) | — | |
| SCHEMBL23242 | 0.62 | — | — | |
| SCHEMBL25423319 | 0.62 | CA14 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011029688-A2 | PREVENTION OF BODY ODOUR | HENKEL AG & CO. KGAA (DE) | 2011-03-17 | — | — | WO | disclosed |