⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1935637 | 0.73 | — | — | |
| SCHEMBL1387435 | 0.72 | — | — | |
| SCHEMBL25211218 | 0.69 | — | — | |
| SCHEMBL27703819 | 0.67 | — | — | |
| SCHEMBL25989147 | 0.67 | — | — | |
| Acetamide SCHEMBL28709825 | 0.67 | BLM (0.53) | — | |
| SCHEMBL20371158 | 0.65 | — | — | |
| SCHEMBL11379090 | 0.65 | ALDH1A1 (0.36) | — | |
| SCHEMBL22401628 | 0.62 | MEN1 (0.35) | — | |
| Urea SCHEMBL28190948 | 0.62 | TDP1 (0.43) | — |
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-5942538-A | HALOBENZAMIDOXIME DERIVATIVE USED AS NONTOXIC FUNGICIDE | NIPPON SODA CO., LTD. (JP) | 1999-08-24 | — | — | US | disclosed |