⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20320087 | 0.78 | CHRNB2 (0.61) | — | |
| SCHEMBL13435466 | 0.77 | CHRNB2 (0.60) | — | |
| SCHEMBL1978267 | 0.77 | CHRNB2 (1.00) | — | |
| SCHEMBL13993929 | 0.77 | CHRNB2 (0.60) | — | |
| SCHEMBL19988062 | 0.77 | CHRNB2 (0.60) | — | |
| SCHEMBL24802897 | 0.77 | CHRNB2 (0.60) | — | |
| SCHEMBL13733916 | 0.76 | — | — | |
| SCHEMBL745221 | 0.75 | CHRNB2 (0.78) | — | |
| SCHEMBL12356574 | 0.75 | CHRNB2 (0.78) | — | |
| SCHEMBL25967766 | 0.75 | CHRNB2 (0.61) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017174620-A1 | BENZO[B]FURANS AS BROMODOMAIN INHIBITORS | GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) | 2017-10-12 | — | — | WO | disclosed |