⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2545245 | 0.91 | OPRK1 (0.32) | — | |
| SCHEMBL2548604 | 0.90 | — | — | |
| SCHEMBL2565568 | 0.90 | AVPR1A (0.31) | — | |
| SCHEMBL2559972 | 0.87 | AVPR1A (0.33) | — | |
| SCHEMBL2562984 | 0.86 | CYP11B2 (0.31) | — | |
| SCHEMBL2559875 | 0.85 | CYP11B2 (0.38) | — | |
| SCHEMBL2559937 | 0.85 | — | — | |
| SCHEMBL2564790 | 0.83 | CYP11B2 (0.32) | — | |
| SCHEMBL2475001 | 0.83 | AADAT (0.32) | — | |
| SCHEMBL2471322 | 0.81 | AVPR1A (0.33) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2552919-A1 | ARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES | F. Hoffmann-La Roche AG (CH) | 2013-02-06 | — | — | EP | disclosed |
| WO-2011120877-A1 | ARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES | F. HOFFMANN-LA ROCHE AG (CH) | 2011-10-06 | — | — | WO | disclosed |