⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31125 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL738325 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL308704 | 0.82 | — | — | |
| Ethylenediamine SCHEMBL2531495 | 0.78 | NFKB1 (0.33) | — | |
| Ethylenediamine SCHEMBL11416076 | 0.78 | NFKB1 (0.33) | — | |
| Ethylenediamine SCHEMBL188360 | 0.78 | — | — | |
| SCHEMBL24500071 | 0.67 | ODC1 (0.47) | — | |
| SCHEMBL13221671 | 0.67 | ODC1 (0.47) | — | |
| SCHEMBL16329755 | 0.67 | ODC1 (0.47) | — | |
| SCHEMBL25143348 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-9025285-A | — | — | None | — | — | JP | disclosed |
| JP-H0925285-A | PLATINUM COMPLEX AND PHARMACEUTICAL CONTAINING THE COMPLEX | SS PHARMACEUT CO LTD | 1997-01-28 | — | — | JP | disclosed |