⚠ 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL3918872 | 0.91 | MRGPRX4 (0.44) | — | |
| SCHEMBL13840577 | 0.86 | PKM (0.54) | — | |
| SCHEMBL5728112 | 0.84 | ACHE (0.47) | — | |
| SCHEMBL3913226 | 0.80 | SLC6A4 (0.51) | — | |
| SCHEMBL3913233 | 0.79 | AR (0.47) | — | |
| SCHEMBL3915228 | 0.76 | KCNA3 (0.47) | — | |
| SCHEMBL3912910 | 0.75 | SLC6A4 (0.49) | — | |
| SCHEMBL3911254 | 0.75 | KCNA3 (0.49) | — | |
| SCHEMBL3920121 | 0.74 | KCNA3 (0.51) | — | |
| Trifluoroacetic Acid SCHEMBL3923215 | 0.73 | LRRK2 (0.44) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1667988-B1 | COUMARINS AS INOS INHIBITORS | AVENTIS PHARMA INC (US) | 2013-04-10 | — | — | EP | claimed |
| US-20050054681-A1 | Coumarins as iNOS inhibitors | AVENTIS PHARMACEUTICALS INC. (US) | 2005-03-10 | — | — | US | claimed |
| EP-1667988-B1 | COUMARINS AS INOS INHIBITORS | AVENTIS PHARMA INC (US) | 2013-04-10 | — | — | EP | disclosed |
| US-7538233-B2 | Coumarins as iNOS inhibitors | AVENTIS PHARMACEUTICALS INC. (US) | 2009-05-26 | — | — | US | disclosed |
| US-7538233-B2 | Coumarins as iNOS inhibitors | AVENTIS PHARMACEUTICALS INC. (US) | 2009-05-26 | — | — | US | disclosed |
| US-7538233-B2 | Coumarins as iNOS inhibitors | AVENTIS PHARMACEUTICALS INC. (US) | 2009-05-26 | — | — | US | disclosed |
| US-20050054681-A1 | Coumarins as iNOS inhibitors | AVENTIS PHARMACEUTICALS INC. (US) | 2005-03-10 | — | — | US | disclosed |