⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9518718 | 0.69 | — | — | |
| SCHEMBL9517588 | 0.69 | THRB (0.33) | — | |
| Ethylenediamine SCHEMBL9516578 | 0.66 | MEN1 (0.41) | — | |
| SCHEMBL9517478 | 0.63 | — | — | |
| SCHEMBL9516487 | 0.63 | — | — | |
| SCHEMBL9516593 | 0.58 | NOS3 (0.38) | — | |
| SCHEMBL7013695 | 0.56 | TSHR (0.37) | — | |
| SCHEMBL15710640 | 0.53 | GABRR1 (0.39) | — | |
| Aspartic Acid SCHEMBL8406706 | 0.52 | CA4 (0.42) | — | |
| Aspartic Acid SCHEMBL8406708 | 0.52 | CA4 (0.42) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0341409-B1 | Platinum (II) complexes, their preparation and use as antitumour agents | BOEHRINGER MANNHEIM ITALIA (IT) | 1993-12-29 | — | — | EP | disclosed |