⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16945607 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL28635229 | 0.96 | — | — | |
| Bromide SCHEMBL11092910 | 0.96 | — | — | |
| SCHEMBL669306 | 0.78 | — | — | |
| SCHEMBL6297960 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL9847617 | 0.75 | NOS3 (0.42) | — | |
| Water SCHEMBL20837969 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL21409696 | 0.75 | — | — | |
| SCHEMBL1343748 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL167943 | 0.75 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4291558-A1 | BICYCLIC TETRAHYDROAZEPINE DERIVATIVES FOR THE TREATMENT OF CANCER | F. Hoffmann-La Roche AG (CH) | 2023-12-20 | — | — | EP | disclosed |
| CN-107148341-B | Multilayer structure, method for producing same, packaging material and product obtained using same, and protective sheet for electronic device | 株式会社可乐丽 | 2020-06-16 | — | — | CN | disclosed |
| US-4486433-A | SLOWING HEART RATE | DR. KARL THOMAE GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1984-12-04 | — | — | US | disclosed |
| US-4409220-A | Fused-ring amino-pyrazines as bradycardiac agents | DR. KARL THOMAE GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1983-10-11 | — | — | US | disclosed |