⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19000001 | 0.82 | PIK3CD (0.40) | — | |
| SCHEMBL9801605 | 0.78 | SLC6A3 (0.35) | — | |
| SCHEMBL9801265 | 0.78 | — | — | |
| SCHEMBL9801622 | 0.74 | TSHR (0.33) | — | |
| SCHEMBL9801515 | 0.72 | DRD2 (0.34) | — | |
| SCHEMBL9802015 | 0.71 | ALOX15 (0.50) | — | |
| SCHEMBL9801148 | 0.71 | ALDH1A1 (0.39) | — | |
| SCHEMBL17176304 | 0.71 | OPRM1 (0.36) | — | |
| SCHEMBL10273152 | 0.69 | GAA (0.42) | — | |
| SCHEMBL15316721 | 0.68 | KDM1A (0.32) | — |
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-3101013-B1 | FUSED BENZOXAZEPINONES AS ION CHANNEL MODULATORS | GILEAD SCIENCES INC (US) | 2020-10-21 | — | — | EP | disclosed |
| EP-3085696-B1 | FUSED BENZOXAZEPINONES AS ION CHANNEL MODULATORS | GILEAD SCIENCES INC (US) | 2020-03-04 | — | — | EP | disclosed |