⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2596224 | 0.92 | — | — | |
| SCHEMBL2589718 | 0.85 | SLC6A2 (0.36) | — | |
| SCHEMBL2593243 | 0.83 | — | — | |
| SCHEMBL2560099 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL2565380 | 0.82 | — | — | |
| SCHEMBL2567021 | 0.82 | AVPR1A (0.31) | — | |
| SCHEMBL2596233 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL2562933 | 0.82 | — | — | |
| SCHEMBL2563313 | 0.81 | CYP11B2 (0.30) | — | |
| SCHEMBL2560109 | 0.81 | — | — |
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-2569319-A1 | HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES | F.HOFFMANN-LA ROCHE AG (CH) | 2013-03-20 | — | — | EP | disclosed |
| WO-2011141396-A1 | HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES | F. HOFFMANN-LA ROCHE AG (CH) | 2011-11-17 | — | — | WO | disclosed |