⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14197614 | 0.83 | — | — | |
| SCHEMBL15384212 | 0.83 | — | — | |
| SCHEMBL5246 | 0.73 | — | — | |
| SCHEMBL17236496 | 0.71 | — | — | |
| SCHEMBL3700395 | 0.69 | — | — | |
| SCHEMBL3700398 | 0.69 | — | — | |
| SCHEMBL12198792 | 0.67 | CA2 (0.32) | — | |
| SCHEMBL12198787 | 0.67 | CA2 (0.32) | — | |
| SCHEMBL17265686 | 0.67 | ALDH1A1 (0.38) | — | |
| SCHEMBL692346 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1603557-A4 | SYNTHESIS OF PELORUSIDE A AND ANALOGS THEREOF FOR USE AS ANTITUMOR AGENTS | UNIV TEXAS (US) | 2008-05-21 | — | — | EP | disclosed |
| EP-1603557-A2 | SYNTHESIS OF PELORUSIDE A AND ANALOGS THEREOF FOR USE AS ANTITUMOR AGENTS | BOARD OF REGENTS UNIVERSITY OF TEXAS SYSTEM (US) | 2005-12-14 | — | — | EP | disclosed |
| WO-2004074249-A2 | SYNTHESIS OF PELORUSIDE A AND ANALOGS THEREOF FOR USE AS ANTITUMOR AGENTS | BOARD OF REGENTS, UNIVERSITY OF TEXAS SYSTEM (US) | 2004-09-02 | — | — | WO | disclosed |