⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7701675 | 0.97 | — | — | |
| Iodide SCHEMBL27852522 | 0.73 | — | — | |
| SCHEMBL1099509 | 0.69 | NFKB1 (0.43) | — | |
| SCHEMBL636982 | 0.69 | — | — | |
| SCHEMBL140976 | 0.69 | NFKB1 (0.43) | — | |
| SCHEMBL816414 | 0.69 | NFKB1 (0.43) | — | |
| SCHEMBL9775544 | 0.69 | — | — | |
| SCHEMBL19569949 | 0.69 | — | — | |
| SCHEMBL9550775 | 0.68 | CYP2D6 (0.31) | — | |
| Hydrochloric Acid SCHEMBL16398251 | 0.67 | NFKB1 (0.40) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5068376-A | Complexing diamines with platinum halides to form antitumor agents or anticarcinogenic agents | NIPPON KAYAKU KABUSHIKI KAISHA (JP) | 1991-11-26 | — | — | US | disclosed |
| US-4921984-A | ANTITUMOR AGENTS | NIPPON KAYAKU KABUSHIKI KAISHA (JP) | 1990-05-01 | — | — | US | disclosed |
| US-4864043-A | ANTITUMOR AGENTS | NIPPON KAYAKU KABUSHIKI KAISHA (JP) | 1989-09-05 | — | — | US | disclosed |
| US-4737589-A | WATER-SOLUBLE ANTITUMOR AGENTS; SIDE EFFECT REDUCTION | NIPPON KAYAKU KABUSHIKI KAISHA (JP) | 1988-04-12 | — | — | US | disclosed |