⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2471322 | 0.92 | AVPR1A (0.33) | — | |
| SCHEMBL2474676 | 0.89 | AVPR1A (0.31) | — | |
| SCHEMBL2474345 | 0.89 | — | — | |
| SCHEMBL2472822 | 0.88 | — | — | |
| SCHEMBL2475001 | 0.88 | AADAT (0.32) | — | |
| SCHEMBL2471774 | 0.87 | CYP11B2 (0.30) | — | |
| Hydrochloric Acid SCHEMBL2473468 | 0.86 | OGA (0.32) | — | |
| SCHEMBL2562984 | 0.84 | CYP11B2 (0.31) | — | |
| SCHEMBL2340647 | 0.83 | — | — | |
| SCHEMBL2565568 | 0.81 | AVPR1A (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2370441-A1 | ARYLCYCLOHEXYLETHERS OF DIHYDROTETRAAZABENZOAZULENES FOR USE AS VASOPRESSIN VIA RECEPTOR ANTAGONISTS | F. Hoffmann-La Roche AG (CH) | 2011-10-05 | — | — | EP | disclosed |