⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16887856 | 0.83 | — | — | |
| Lithium SCHEMBL30306385 | 0.82 | NEK2 (0.33) | — | |
| Ammonia Solution, Strong SCHEMBL29290550 | 0.82 | NEK2 (0.33) | — | |
| SCHEMBL30660753 | 0.82 | NEK2 (0.33) | — | |
| Imidazole SCHEMBL9107976 | 0.70 | ALDH1A1 (0.45) | — | |
| SCHEMBL5176480 | 0.68 | — | — | |
| SCHEMBL4345473 | 0.68 | — | — | |
| SCHEMBL4774561 | 0.68 | — | — | |
| SCHEMBL11954686 | 0.65 | — | — | |
| SCHEMBL23163190 | 0.64 | ERBB2 (0.35) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-2225471-A | — | — | None | — | — | JP | disclosed |
| US-5126361-A | Antitumor agentss | YAMASA SHOYU KABUSHIKI KAISHA (JP) | 1992-06-30 | — | — | US | disclosed |
| US-5059590-A | Antitumor agents | YAMASA SHOYU KABUSHIKI KAISHA (JP) | 1991-10-22 | — | — | US | disclosed |
| JP-H02225471-A | IMIDAZOLE DERIVATIVE AND ANTITUMOR AGENT | YAMASA SHOYU CO LTD | 1990-09-07 | — | — | JP | disclosed |
| EP-0331080-A2 | Imidazole derivatives, process for production thereof, and use thereof | Yamasa Shoyu Kabushiki Kaisha (JP) | 1989-09-06 | — | — | EP | disclosed |