⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3014862 | 1.00 | — | — | |
| SCHEMBL19420224 | 1.00 | — | — | |
| Hydroxyl Radical SCHEMBL7645832 | 0.98 | — | — | |
| SCHEMBL8899943 | 0.74 | NFKB1 (0.38) | — | |
| SCHEMBL727479 | 0.74 | — | — | |
| SCHEMBL727480 | 0.74 | — | — | |
| SCHEMBL3898157 | 0.74 | — | — | |
| SCHEMBL767441 | 0.72 | — | — | |
| SCHEMBL3983475 | 0.72 | — | — | |
| SCHEMBL4617101 | 0.72 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9611287-B2 | Trioxacarcins and uses thereof | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2017-04-04 | — | — | US | disclosed |