⚠ 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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL28068869 | 0.83 | — | — | |
| Tetrachloroethylene SCHEMBL9734827 | 0.77 | TSHR (0.42) | — | |
| Methylene Chloride SCHEMBL28160039 | 0.76 | — | — | |
| Methylene Chloride SCHEMBL7847615 | 0.76 | TSHR (0.54) | — | |
| Chloroform SCHEMBL27824229 | 0.76 | — | — | |
| SCHEMBL16435 | 0.76 | — | — | |
| SCHEMBL28154792 | 0.76 | TSHR (0.40) | — | |
| Methacrylic Acid SCHEMBL11232963 | 0.74 | TDP1 (0.36) | — | |
| Acetamide SCHEMBL28866674 | 0.73 | — | — | |
| Methyl Alcohol SCHEMBL1871619 | 0.72 | — | — |
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 |