⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19456253 | 0.84 | BRD4 (0.32) | — | |
| SCHEMBL19456305 | 0.84 | BRD4 (0.32) | — | |
| SCHEMBL19456300 | 0.83 | BRD4 (0.37) | — | |
| SCHEMBL19456110 | 0.78 | PARP1 (0.46) | — | |
| SCHEMBL20887077 | 0.70 | PARP1 (0.42) | — | |
| SCHEMBL21649797 | 0.68 | BRD4 (0.43) | — | |
| SCHEMBL19456132 | 0.68 | RXFP1 (0.33) | — | |
| SCHEMBL19456080 | 0.67 | RXFP1 (0.38) | — | |
| SCHEMBL19456190 | 0.67 | BRD4 (0.49) | — | |
| SCHEMBL19456159 | 0.67 | BRD4 (0.39) | — |
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-3440075-B1 | BENZO[B]FURANS AS BROMODOMAIN INHIBITORS | GLAXOSMITHKLINE IP NO 2 LTD (GB) | 2020-01-29 | — | — | EP | disclosed |
| WO-2017174620-A1 | BENZO[B]FURANS AS BROMODOMAIN INHIBITORS | GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) | 2017-10-12 | — | — | WO | disclosed |