⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3233760 | 0.87 | — | — | |
| SCHEMBL4756401 | 0.87 | — | — | |
| SCHEMBL14936 | 0.87 | — | — | |
| SCHEMBL4448802 | 0.80 | — | — | |
| SCHEMBL4446571 | 0.80 | — | — | |
| Iodide SCHEMBL6295549 | 0.80 | — | — | |
| SCHEMBL4453061 | 0.80 | — | — | |
| SCHEMBL4440880 | 0.80 | — | — | |
| Ammonia Solution, Strong SCHEMBL20293763 | 0.80 | — | — | |
| SCHEMBL4444115 | 0.80 | — | — |
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-5229375-A | PHOSPHENE OXIDE-TERMINATED ALLENE-ENE-YNE DNA-CLEAVING, ANTITUMOR AND ANTIBIOTIC MOLECULES | SCRIPPS CLINIC AND RESEARCH FOUNDATION (US) | 1993-07-20 | — | — | US | disclosed |
| EP-0541670-A4 | PHOSPHENE OXIDE-TERMINATED ALLENE-ENE-YNE DNA-CLEAVING, ANTITUMOR AND ANTIBIOTIC MOLECULES | — | 1993-06-16 | — | — | EP | disclosed |
| EP-0541670-A1 | PHOSPHENE OXIDE-TERMINATED ALLENE-ENE-YNE DNA-CLEAVING, ANTITUMOR AND ANTIBIOTIC MOLECULES | SCRIPPS CLINIC AND RESEARCH FOUNDATION (US) | 1993-05-19 | — | — | EP | disclosed |
| WO-1992002227-A1 | PHOSPHENE OXIDE-TERMINATED ALLENE-ENE-YNE DNA-CLEAVING, ANTITUMOR AND ANTIBIOTIC MOLECULES | SCRIPPS CLINIC AND RESEARCH FOUNDATION (US) | 1992-02-20 | — | — | WO | disclosed |