⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7068832 | 0.91 | KDM4E (0.32) | — | |
| SCHEMBL7069203 | 0.79 | GGT1 (0.35) | — | |
| SCHEMBL7072467 | 0.79 | GGT1 (0.35) | — | |
| SCHEMBL7072192 | 0.75 | — | — | |
| SCHEMBL7162914 | 0.72 | EPHX2 (0.31) | — | |
| SCHEMBL7068833 | 0.70 | — | — | |
| SCHEMBL23660490 | 0.70 | TSHR (0.45) | — | |
| SCHEMBL6190037 | 0.69 | GGT1 (0.44) | — | |
| SCHEMBL5839573 | 0.68 | GGT1 (0.39) | — | |
| SCHEMBL20908681 | 0.68 | GRIK1 (0.43) | — |
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-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 |
| US-20020072631-A1 | 2-amino-2-alkyl-3 hexenoic and hexynoic acid derivatives useful as nitric oxide synthase inhibitors | PHARMACIA CORLPORATION | 2002-06-13 | — | — | US | 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 |
| US-6828456-B2 | Therapy | PHARMACIA CORPORATION | 2004-12-07 | — | — | US | disclosed |
| 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 |
| US-20020072631-A1 | 2-amino-2-alkyl-3 hexenoic and hexynoic acid derivatives useful as nitric oxide synthase inhibitors | PHARMACIA CORLPORATION | 2002-06-13 | — | — | US | 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 |