⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17614047 | 0.97 | ALDH1A1 (0.41) | — | |
| SCHEMBL10105739 | 0.83 | MEN1 (0.33) | — | |
| Dimethylamine SCHEMBL9542068 | 0.83 | ALDH1A1 (0.50) | — | |
| SCHEMBL11613606 | 0.83 | MEN1 (0.33) | — | |
| SCHEMBL19970453 | 0.79 | ALDH1A1 (0.60) | — | |
| SCHEMBL22247 | 0.79 | — | — | |
| SCHEMBL27394555 | 0.79 | HSD17B10 (0.35) | — | |
| SCHEMBL6567270 | 0.77 | — | — | |
| SCHEMBL9639301 | 0.75 | ALDH1A1 (0.56) | — | |
| SCHEMBL1204192 | 0.75 | ALDH1A1 (0.56) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0029171-B1 | AZOLYLOXY-CARBOXYLIC ACID N-OXY-AMIDES, PROCESS AND INTERMEDIATES FOR THEIR PREPARATION, THEIR USE, HERBICIDES CONTAINING THEM AND THEIR PREPARATION | BAYER AG (DE) | 1984-03-21 | — | — | EP | disclosed |