⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7072192 | 0.91 | — | — | |
| SCHEMBL7162916 | 0.83 | — | — | |
| SCHEMBL7068832 | 0.77 | KDM4E (0.32) | — | |
| SCHEMBL4200797 | 0.74 | ARG1 (0.45) | — | |
| SCHEMBL8192140 | 0.73 | ARG1 (0.47) | — | |
| Hydrochloric Acid SCHEMBL8178078 | 0.73 | ARG1 (0.44) | — | |
| SCHEMBL7072463 | 0.72 | GGT1 (0.30) | — | |
| SCHEMBL7071598 | 0.72 | GGT1 (0.30) | — | |
| SCHEMBL6853744 | 0.70 | — | — | |
| SCHEMBL7070456 | 0.70 | CYP2C19 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1317417-A2 | 2-AMINO-2-ALKYL-3 HEPTENOIC AND HEPTYNOIC ACID DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS | Pharmacia Corporation (US) | 2003-06-11 | — | — | EP | claimed |
| WO-2002022558-A2 | 2-AMINO-2-ALKYL-3 HEPTENOIC AND HEPTYNOIC ACID DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS | PHARMACIA CORPORATION (US) | 2002-03-21 | — | — | WO | claimed |