⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14518682 | 1.00 | — | — | |
| SCHEMBL2590184 | 1.00 | — | — | |
| SCHEMBL1898476 | 0.77 | — | — | |
| SCHEMBL5127630 | 0.77 | — | — | |
| SCHEMBL1898475 | 0.77 | — | — | |
| SCHEMBL15990560 | 0.69 | — | — | |
| SCHEMBL20928355 | 0.69 | — | — | |
| SCHEMBL22446631 | 0.69 | — | — | |
| SCHEMBL15990558 | 0.69 | — | — | |
| SCHEMBL12993961 | 0.69 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102884065-B | Heteroaryl-cyclohexyl-tetraazabenzo [ e ] azulenes | HOFFMAN-LA ROCHE LTD. (CH) | 2015-11-25 | — | — | CN | disclosed |
| EP-2569319-B1 | HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES | HOFFMANN LA ROCHE (CH) | 2014-09-24 | — | — | EP | disclosed |
| US-8513238-B2 | Heteroaryl-cyclohexyl-tetraazabenzo[E]azulenes | HOFFMANN-LA ROCHE INC. (US) | 2013-08-20 | — | — | US | disclosed |
| US-20110275801-A1 | HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES | HOFFMANN-LA ROCHE, INC. | 2011-11-10 | — | — | US | disclosed |