⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3129311 | 0.84 | KDM4E (0.30) | — | |
| SCHEMBL3133818 | 0.79 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL3139028 | 0.77 | ALDH1A1 (0.35) | — | |
| SCHEMBL15493629 | 0.71 | — | — | |
| SCHEMBL3135397 | 0.71 | — | — | |
| SCHEMBL3142774 | 0.70 | — | — | |
| SCHEMBL3129236 | 0.68 | — | — | |
| SCHEMBL13938463 | 0.55 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL1441598 | 0.54 | — | — | |
| SCHEMBL18338534 | 0.54 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20100004221-A1 | THIAZEPINE DERIVATIVE | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2010-01-07 | — | — | US | disclosed |
| EP-2119719-A1 | THIAZEPINE DERIVATIVE | Daiichi Sankyo Company, Limited (JP) | 2009-11-18 | — | — | EP | disclosed |