⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3306395 | 0.83 | ALDH1A1 (0.45) | — | |
| SCHEMBL8058918 | 0.80 | ALDH1A1 (0.43) | — | |
| SCHEMBL15894479 | 0.78 | ALDH1A1 (0.41) | — | |
| SCHEMBL25425853 | 0.74 | — | — | |
| SCHEMBL7040839 | 0.74 | — | — | |
| SCHEMBL4372008 | 0.72 | — | — | |
| SCHEMBL10978127 | 0.72 | — | — | |
| SCHEMBL25290444 | 0.72 | — | — | |
| SCHEMBL22228985 | 0.70 | MEN1 (0.37) | — | |
| Acetic Acid SCHEMBL11496577 | 0.70 | MEN1 (0.46) | — |
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-3956500-A | INSECTICIDES, NEMATOCIDES | UNION CARBIDE CORPORATION (US) | 1976-05-11 | — | — | US | disclosed |