⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14919192 | 0.60 | — | — | |
| SCHEMBL2456115 | 0.56 | — | — | |
| SCHEMBL17310757 | 0.56 | HTR3A (0.37) | — | |
| SCHEMBL3576495 | 0.55 | — | — | |
| Hydrochloric Acid SCHEMBL17396356 | 0.55 | HTR3A (0.36) | — | |
| SCHEMBL4480663 | 0.53 | — | — | |
| SCHEMBL477075 | 0.51 | — | — | |
| SCHEMBL20521142 | 0.49 | — | — | |
| SCHEMBL566951 | 0.46 | — | — | |
| SCHEMBL2042790 | 0.46 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-1992021349-A1 | COMBINATIONS OF ALPHA-2 ADRENERGIC AGONISTS WITH ALPHA-3 ANTAGONISTS FOR LOWERING INTRAOCULAR PRESSURE | ALLERGAN, INC. (US) | 1992-12-10 | — | — | WO | disclosed |
| EP-0347766-A2 | 4,5,7,8-Tetrahydro-6H-thiazolo[5,4-d]azepines, their preparation and their use as medicaments | Dr. Karl Thomae GmbH (DE) | 1989-12-27 | — | — | EP | disclosed |