⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL261595 | 0.97 | — | — | |
| Water SCHEMBL27610138 | 0.93 | — | — | |
| SCHEMBL28487733 | 0.93 | — | — | |
| Butane SCHEMBL4602907 | 0.85 | FDPS (0.40) | — | |
| SCHEMBL1516769 | 0.72 | KDM4E (0.44) | — | |
| SCHEMBL1516784 | 0.72 | KDM4E (0.44) | — | |
| SCHEMBL3397703 | 0.67 | — | — | |
| SCHEMBL3362035 | 0.67 | — | — | |
| SCHEMBL9436890 | 0.67 | — | — | |
| SCHEMBL9790071 | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4428943-A | ANTITUMOR AGENTS | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 1984-01-31 | — | — | US | disclosed |
| US-4428943-A | ANTITUMOR AGENTS | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 1984-01-31 | — | — | US | disclosed |
| US-4284579-A | ANTITUMOUR AGENTS | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE OF THE DEPARTMENT OF HEALTH & HUMAN SERVICES (US) | 1981-08-18 | — | — | US | disclosed |
| EP-0026813-A2 | (N-phosphonoacetyl-L-aspartato) (1,2 diaminocyclohexane) platinum (II) and the sodium, potassium or lithium salts thereof, their preparation and pharmaceutical compositions containing them | THE UNITED STATES OF AMERICA as represented by the Secretary United States Department of Commerce (US) | 1981-04-15 | — | — | EP | disclosed |
| WO-1981000256-A1 | (N-PHOSPHONACETYL-L-ASPARTATO)(1,2-DIAMINOCYCLOHEXANE)-PLATINUM(II)OR ALKALI METAL SALT | US COMMERCE (US) | 1981-02-05 | — | — | WO | disclosed |