⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7068833 | 0.91 | — | — | |
| SCHEMBL7071598 | 0.81 | GGT1 (0.30) | — | |
| SCHEMBL7072463 | 0.81 | GGT1 (0.30) | — | |
| SCHEMBL6853744 | 0.75 | — | — | |
| SCHEMBL7162916 | 0.74 | — | — | |
| SCHEMBL6992677 | 0.71 | GGT1 (0.39) | — | |
| SCHEMBL4200797 | 0.70 | ARG1 (0.45) | — | |
| SCHEMBL6130486 | 0.70 | GGT1 (0.33) | — | |
| SCHEMBL7068832 | 0.70 | KDM4E (0.32) | — | |
| SCHEMBL8192140 | 0.69 | ARG1 (0.47) | — |
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-1317420-A1 | 2-AMINO-2-ALKYL-3 HEXENOIC AND HEXYNOIC ACID DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS | Pharmacia Corporation (US) | 2003-06-11 | — | — | EP | claimed |
| WO-2002022561-A1 | 2-AMINO-2-ALKYL-3 HEXENOIC AND HEXYNOIC ACID DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS | PHARMACIA CORPORATION (US) | 2002-03-21 | — | — | WO | claimed |
| EP-1317420-A1 | 2-AMINO-2-ALKYL-3 HEXENOIC AND HEXYNOIC ACID DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS | Pharmacia Corporation (US) | 2003-06-11 | — | — | EP | disclosed |
| WO-2002022561-A1 | 2-AMINO-2-ALKYL-3 HEXENOIC AND HEXYNOIC ACID DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS | PHARMACIA CORPORATION (US) | 2002-03-21 | — | — | WO | disclosed |