⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15871029 | 0.82 | LPO (0.48) | — | |
| SCHEMBL1219895 | 0.80 | — | — | |
| SCHEMBL202798 | 0.78 | — | — | |
| SCHEMBL4894556 | 0.78 | — | — | |
| SCHEMBL248446 | 0.78 | — | — | |
| SCHEMBL8027810 | 0.78 | — | — | |
| Bromide SCHEMBL8731691 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL7249482 | 0.76 | — | — | |
| SCHEMBL1219965 | 0.76 | — | — | |
| SCHEMBL15870905 | 0.76 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8461346-B2 | Benzyl amines, a process for their production and their use as anti-inflammatory agents | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2013-06-11 | — | — | US | claimed |
| EP-1299395-B1 | OXAZINOQUINOLONES USEFUL FOR THE TREATMENT OF VIRAL INFECTIONS | UPJOHN CO (US) | 2004-09-15 | — | — | EP | claimed |
| WO-2004019932-A1 | METHOD OF PREVENTING OR TREATING ATHEROSCLEROSIS OR RESTENOSIS | PHARMACIA & UPJOHN COMPANY (US) | 2004-03-11 | — | — | WO | disclosed |