⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8465599 | 0.92 | — | — | |
| SCHEMBL4883436 | 0.72 | — | — | |
| SCHEMBL5806873 | 0.72 | — | — | |
| SCHEMBL11459831 | 0.67 | — | — | |
| SCHEMBL8466204 | 0.62 | USP2 (0.34) | — | |
| SCHEMBL6740335 | 0.59 | DHODH (0.39) | — | |
| SCHEMBL1822544 | 0.59 | — | — | |
| SCHEMBL217840 | 0.55 | DHODH (0.41) | — | |
| SCHEMBL17024327 | 0.55 | DHODH (0.41) | — | |
| SCHEMBL17024326 | 0.55 | DHODH (0.41) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1994011365-A1 | SUBSTITUTED BENZIMIDAZOLES AND QUINAZOLINES AS ANTIHYPERTENSIVES | AMERICAN HOME PRODUCTS CORPORATION (US) | 1994-05-26 | — | — | WO | disclosed |