⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27604485 | 0.62 | — | — | |
| SCHEMBL28151351 | 0.60 | — | — | |
| SCHEMBL3352480 | 0.57 | FDPS (0.40) | — | |
| SCHEMBL4860463 | 0.56 | — | — | |
| SCHEMBL26210468 | 0.55 | MEN1 (0.30) | — | |
| SCHEMBL1837658 | 0.54 | — | — | |
| SCHEMBL2298651 | 0.54 | — | — | |
| SCHEMBL15326918 | 0.52 | — | — | |
| SCHEMBL26777524 | 0.52 | HSP90AA1 (0.32) | — | |
| SCHEMBL23581919 | 0.52 | — | — |
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-2320734-A1 | FLAVIN DERIVATIVES | BioRelix, Inc. (US) | 2011-05-18 | — | — | EP | disclosed |
| WO-2010019208-A1 | FLAVIN DERIVATIVES | BIORELIX PHARMACEUTICALS, INC. (US) | 2010-02-18 | — | — | WO | disclosed |