⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10399907 | 0.73 | — | — | |
| SCHEMBL8386426 | 0.73 | — | — | |
| SCHEMBL56628 | 0.69 | — | — | |
| SCHEMBL712940 | 0.69 | — | — | |
| SCHEMBL19971106 | 0.67 | — | — | |
| SCHEMBL5391460 | 0.64 | — | — | |
| SCHEMBL2445165 | 0.64 | — | — | |
| SCHEMBL5391397 | 0.64 | — | — | |
| SCHEMBL11766988 | 0.64 | — | — | |
| SCHEMBL28534637 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007059329-A2 | METHODS AND COMPOSITIONS FOR TREATING CANCER | PHARMACYCLICS, INC. (US) | 2007-05-24 | — | — | WO | disclosed |
| EP-1408955-A4 | NOVEL METALLOTEXAPHYRIN DERIVATIVES | PHARMACYCLICS INC (US) | 2006-09-06 | — | — | EP | disclosed |
| EP-1408955-A1 | NOVEL METALLOTEXAPHYRIN DERIVATIVES | PHARMACYCLICS, INC. (US) | 2004-04-21 | — | — | EP | disclosed |
| WO-2002017908-A1 | NOVEL METALLOTEXAPHYRIN DERIVATIVES | PHARMACYCLICS, INC. (US) | 2002-03-07 | — | — | WO | disclosed |