⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24627651 | 0.88 | — | — | |
| SCHEMBL1240721 | 0.86 | — | — | |
| SCHEMBL8620129 | 0.84 | SHBG (0.42) | — | |
| SCHEMBL20492121 | 0.84 | SHBG (0.42) | — | |
| SCHEMBL9425824 | 0.80 | — | — | |
| SCHEMBL8734417 | 0.79 | — | — | |
| SCHEMBL17802907 | 0.78 | LMNA (0.39) | — | |
| SCHEMBL3159514 | 0.78 | SLC6A2 (0.37) | — | |
| SCHEMBL22261437 | 0.78 | — | — | |
| SCHEMBL2649714 | 0.76 | ALDH1A1 (0.50) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8507539-B2 | Potassium channel blockers and uses thereof | BIONOMICS LIMITED (AU) | 2013-08-13 | — | — | US | disclosed |
| US-8329687-B2 | Pyridooxazepine derivative and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-12-11 | — | — | US | disclosed |
| US-8329687-B2 | Pyridooxazepine derivative and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-12-11 | — | — | US | disclosed |
| US-20110166130-A1 | NOVEL POTASSIUM CHANNEL BLOCKERS AND USES THEREOF | BIONOMICS LIMITED (AU) | 2011-07-07 | — | — | US | disclosed |
| US-20100286120-A1 | PYRIDOOXAZEPINE DERIVATIVE AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-11-11 | — | — | US | disclosed |
| US-20100286120-A1 | PYRIDOOXAZEPINE DERIVATIVE AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-11-11 | — | — | US | disclosed |