⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7070344 | 1.00 | — | — | |
| SCHEMBL7066816 | 0.85 | — | — | |
| SCHEMBL7066814 | 0.85 | — | — | |
| SCHEMBL7071044 | 0.85 | — | — | |
| SCHEMBL7070346 | 0.79 | — | — | |
| SCHEMBL7068480 | 0.79 | — | — | |
| SCHEMBL7532868 | 0.76 | CYP2C19 (0.34) | — | |
| SCHEMBL7532871 | 0.76 | CYP2C19 (0.34) | — | |
| SCHEMBL7070430 | 0.76 | CYP2C19 (0.34) | — | |
| SCHEMBL7134099 | 0.76 | — | — |
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 6 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 |
| US-20020072630-A1 | 2-amino-2-alkyl-3 heptenoic and heptynoic acid derivatives useful as nitric oxide synthase inhibitors | PHARMACIA CORPORATION | 2002-06-13 | — | — | US | 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 |
| 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 | disclosed |
| US-20020072630-A1 | 2-amino-2-alkyl-3 heptenoic and heptynoic acid derivatives useful as nitric oxide synthase inhibitors | PHARMACIA CORPORATION | 2002-06-13 | — | — | US | disclosed |
| 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 | disclosed |