⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13002253 | 1.00 | — | — | |
| SCHEMBL3302577 | 1.00 | — | — | |
| SCHEMBL9750856 | 0.76 | — | — | |
| SCHEMBL661622 | 0.76 | — | — | |
| SCHEMBL1524347 | 0.76 | — | — | |
| SCHEMBL9454626 | 0.75 | — | — | |
| SCHEMBL9454631 | 0.75 | — | — | |
| SCHEMBL13052958 | 0.75 | — | — | |
| SCHEMBL15592131 | 0.73 | — | — | |
| SCHEMBL13002256 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012165314-A1 | AMIDE COMPOUND | 第一三共株式会社 (JP) | 2012-12-06 | — | — | WO | disclosed |
| EP-2487149-A1 | METHOD FOR PRODUCING KETONE | JX Nippon Oil & Energy Corporation (JP) | 2012-08-15 | — | — | EP | disclosed |
| US-20120197036-A1 | METHOD FOR MANUFACTURING KETONE | OSAKA UNIVERSITY (JP) | 2012-08-02 | — | — | US | disclosed |