⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4099579 | 1.00 | — | — | |
| SCHEMBL4817247 | 0.83 | NFKB1 (0.33) | — | |
| SCHEMBL3373521 | 0.79 | CYP1A2 (0.41) | — | |
| SCHEMBL16053721 | 0.78 | — | — | |
| SCHEMBL4724968 | 0.78 | — | — | |
| SCHEMBL918992 | 0.78 | — | — | |
| SCHEMBL4197567 | 0.77 | CYP1A2 (0.44) | — | |
| SCHEMBL8636587 | 0.77 | CYP1A2 (0.44) | — | |
| SCHEMBL8640860 | 0.77 | CYP1A2 (0.44) | — | |
| SCHEMBL9360168 | 0.77 | CYP1A2 (0.44) | — |
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-20040138485-A1 | Chemical synthons and intermediates | PURDUE RESEARCH FOUNDATION | 2004-07-15 | — | — | US | claimed |
| US-9611287-B2 | Trioxacarcins and uses thereof | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2017-04-04 | — | — | US | disclosed |
| US-7501535-B2 | Chemical synthons and intermediates | PURDUE RESEARCH FOUNDATION (US) | 2009-03-10 | — | — | US | disclosed |
| US-20040138485-A1 | Chemical synthons and intermediates | PURDUE RESEARCH FOUNDATION | 2004-07-15 | — | — | US | disclosed |