⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5839573 | 0.83 | GGT1 (0.39) | — | |
| SCHEMBL5839731 | 0.80 | PTPN11 (0.42) | — | |
| SCHEMBL5839541 | 0.79 | DGAT1 (0.32) | — | |
| SCHEMBL7069203 | 0.71 | GGT1 (0.35) | — | |
| SCHEMBL7072467 | 0.71 | GGT1 (0.35) | — | |
| SCHEMBL6378552 | 0.71 | — | — | |
| SCHEMBL6190037 | 0.70 | GGT1 (0.44) | — | |
| SCHEMBL5642094 | 0.70 | TSHR (0.38) | — | |
| SCHEMBL6194043 | 0.69 | — | — | |
| SCHEMBL6059167 | 0.69 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1317416-A2 | 2-AMINO-2-ALKYL-4 HEXENOIC AND HEXYNOIC ACID DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS | Pharmacia Corporation (US) | 2003-06-11 | — | — | EP | claimed |
| US-20020128510-A1 | 2-Amino-2-alkyl-4 hexenoic and hexynoic acid derivatives useful as nitric oxide synthase inhibitors | PHARMACIA CORPORATION | 2002-09-12 | — | — | US | claimed |
| WO-2002022559-A2 | 2-AMINO-2-ALKYL-4 HEXENOIC AND HEXYNOIC ACID DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS | PHARMACIA CORPORATION (US) | 2002-03-21 | — | — | WO | claimed |
| US-7005450-B2 | 2-amino-2-alkyl-4 hexenoic and hexynoic acid derivatives useful as nitric oxide synthase inhibitors | PHARMACIA CORPORATION (US) | 2006-02-28 | — | — | US | disclosed |
| US-20050256199-A1 | 2-Amino-2-alkyl-4 hexenoic and hexynoic acid derivatives useful as nitric oxide synthase inhibitors | PHARMACIA CORPORATION | 2005-11-17 | — | — | US | disclosed |
| US-20040192779-A1 | 2-amino-2-alkyl-4 hexenoic and hexynoic acid derivatives useful as nitric oxide synthase inhibitors | DURLEY RICHARD C (US) | 2004-09-30 | — | — | US | disclosed |
| US-6756406-B2 | ANTIARTHRITIC AGENTS; RHEUMATIC DISEASES; OSTEOARTHRITIS; INHIBITION OF THE INDUCIBLE NITRIC OXIDE SYNTHASE - INDUCED AFTER ACTIVATION OF VASCULAR SMOOTH MUSCLE, MACROPHAGES, ENDOTHELIAL CELLS BY ENOTOXIN AND CYTOKINES | PHARMACIA CORPORATION | 2004-06-29 | — | — | US | disclosed |
| EP-1317416-A2 | 2-AMINO-2-ALKYL-4 HEXENOIC AND HEXYNOIC ACID DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS | Pharmacia Corporation (US) | 2003-06-11 | — | — | EP | disclosed |
| US-20020128510-A1 | 2-Amino-2-alkyl-4 hexenoic and hexynoic acid derivatives useful as nitric oxide synthase inhibitors | PHARMACIA CORPORATION | 2002-09-12 | — | — | US | disclosed |
| WO-2002022559-A2 | 2-AMINO-2-ALKYL-4 HEXENOIC AND HEXYNOIC ACID DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS | PHARMACIA CORPORATION (US) | 2002-03-21 | — | — | WO | disclosed |