⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL155401 | 1.00 | — | — | |
| 1,4-Butanediol SCHEMBL28296962 | 0.85 | SMN1; SMN2 (0.50) | — | |
| Ether SCHEMBL11708328 | 0.85 | ALDH1A1 (0.33) | — | |
| SCHEMBL27974495 | 0.81 | — | — | |
| SCHEMBL123130 | 0.79 | — | — | |
| SCHEMBL2823350 | 0.77 | ALDH1A1 (0.44) | — | |
| SCHEMBL308585 | 0.77 | — | — | |
| SCHEMBL12496 | 0.77 | — | — | |
| SCHEMBL7754200 | 0.77 | ALDH1A1 (0.64) | — | |
| SCHEMBL3296679 | 0.76 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5130450-A | Amine or ammonia containing platinum complexes as antitumor agents, also containing carboxy or hydroxy groups | NIPPON KAYAKU KABUSHIKI KAISHA (JP) | 1992-07-14 | — | — | US | disclosed |
| EP-0454042-A2 | Novel platinum complexes | Nippon Kayaku Kabushiki Kaisha (JP) | 1991-10-30 | — | — | EP | disclosed |