⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2222528 | 0.77 | — | — | |
| SCHEMBL4399070 | 0.75 | — | — | |
| SCHEMBL27510089 | 0.71 | — | — | |
| SCHEMBL12338364 | 0.71 | — | — | |
| SCHEMBL10077299 | 0.71 | — | — | |
| SCHEMBL1268975 | 0.70 | — | — | |
| Iodide SCHEMBL10728122 | 0.69 | — | — | |
| SCHEMBL9614870 | 0.68 | — | — | |
| SCHEMBL1806950 | 0.64 | — | — | |
| SCHEMBL31322905 | 0.64 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7320989-B2 | Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists | ENCYSIVE PHARMACEUTICALS, INC. (US) | 2008-01-22 | — | — | US | disclosed |
| US-20080004312-A1 | Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists | ENCYSIVE PHARMACEUTICALS, INC. | 2008-01-03 | — | — | US | disclosed |
| US-20050054850-A1 | Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists | ENCYSIVE PHARMACEUTICALS INC. | 2005-03-10 | — | — | US | disclosed |