⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7536500 | 1.00 | — | — | |
| SCHEMBL13953408 | 0.78 | TLR4 (0.35) | — | |
| SCHEMBL20614486 | 0.77 | CREBBP (0.52) | — | |
| SCHEMBL12160740 | 0.74 | — | — | |
| SCHEMBL357257 | 0.74 | — | — | |
| SCHEMBL25838829 | 0.74 | — | — | |
| SCHEMBL25838000 | 0.73 | — | — | |
| SCHEMBL22902081 | 0.72 | BRD4 (0.38) | — | |
| SCHEMBL22901959 | 0.72 | BRD4 (0.38) | — | |
| SCHEMBL15762997 | 0.71 | — | — |
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-5300639-A | 2-oxo-3-carbonylamino-substituted azepine intermediates; lipoperoxide formation inhibitors | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1994-04-05 | — | — | US | disclosed |