⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21499658 | 0.71 | ALDH1A1 (0.31) | — | |
| SCHEMBL8002175 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL8002298 | 0.68 | ATAD2 (0.33) | — | |
| SCHEMBL8696410 | 0.68 | ATAD2 (0.38) | — | |
| SCHEMBL17083422 | 0.67 | ALDH1A1 (0.42) | — | |
| SCHEMBL10197346 | 0.59 | INMT (0.30) | — | |
| SCHEMBL21590002 | 0.58 | ATAD2 (0.33) | — | |
| SCHEMBL4616429 | 0.58 | GSK3A (0.35) | — | |
| SCHEMBL22493259 | 0.58 | — | — | |
| SCHEMBL13101100 | 0.58 | CA12 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0604365-B1 | Imidazole derivatives and their use as agrochemical agents | NOVARTIS AG (CH) | 1999-05-26 | — | — | EP | disclosed |
| US-5679623-A | PESTICIDES, INSECTICIDES | CIBA-GEIGY CORPORATION (US) | 1997-10-21 | — | — | US | disclosed |
| EP-0604365-A1 | Imidazole derivatives and their use as agrochemical agents | CIBA-GEIGY AG (CH) | 1994-06-29 | — | — | EP | disclosed |