⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL453813 | 0.64 | — | — | |
| SCHEMBL8535079 | 0.64 | ALOX15 (0.30) | — | |
| SCHEMBL20307 | 0.61 | — | — | |
| SCHEMBL1926927 | 0.61 | — | — | |
| SCHEMBL3876165 | 0.61 | GAA (0.36) | — | |
| SCHEMBL577542 | 0.61 | GAA (0.43) | — | |
| SCHEMBL577541 | 0.61 | GAA (0.43) | — | |
| SCHEMBL21151025 | 0.61 | GAA (0.43) | — | |
| SCHEMBL1162665 | 0.60 | GAA (0.37) | — | |
| SCHEMBL452239 | 0.59 | MAPT (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1064281-B1 | BENZOHETEROCYCLIC DISTAMYCIN DERIVATIVES, PROCESS FOR PREPARING THEM, AND THEIR USE AS ANTITUMOR AGENTS | PHARMACIA ITALIA SPA (IT) | 2005-05-25 | — | — | EP | claimed |
| WO-2006093518-A2 | THIENYL COMPOUNDS FOR TREATING VIRUS-RELATED CONDITIONS | APATH, LLC (US) | 2006-09-08 | — | — | WO | disclosed |