⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11038332 | 0.77 | — | — | |
| SCHEMBL11085970 | 0.74 | — | — | |
| SCHEMBL11041872 | 0.69 | — | — | |
| SCHEMBL14048764 | 0.68 | TSHR (0.38) | — | |
| SCHEMBL9723002 | 0.68 | — | — | |
| SCHEMBL6677556 | 0.68 | TSHR (0.33) | — | |
| SCHEMBL9722994 | 0.67 | CYP2D6 (0.30) | — | |
| SCHEMBL11081741 | 0.65 | — | — | |
| SCHEMBL11039072 | 0.65 | — | — | |
| SCHEMBL9722996 | 0.65 | CYP2D6 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5101054-A | Antitumor agents | DAIKIN INDUSTRIES, LTD. (JP) | 1992-03-31 | — | — | US | claimed |
| US-5101054-A | Antitumor agents | DAIKIN INDUSTRIES, LTD. (JP) | 1992-03-31 | — | — | US | disclosed |
| EP-0422242-A1 | NEW FLUOROCARBON PLATINUM COMPLEXES | DAIKIN INDUSTRIES, LIMITED (JP) | 1991-04-17 | — | — | EP | disclosed |