⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3428409 | 0.79 | GSK3B (0.33) | — | |
| SCHEMBL3779375 | 0.79 | HTR1A (0.30) | — | |
| SCHEMBL3783455 | 0.78 | — | — | |
| SCHEMBL3428015 | 0.78 | HTR1A (0.41) | — | |
| SCHEMBL1712253 | 0.72 | KCNH2 (0.31) | — | |
| SCHEMBL2285886 | 0.72 | KCNH2 (0.31) | — | |
| SCHEMBL3607637 | 0.71 | KCNH2 (0.32) | — | |
| SCHEMBL3615899 | 0.71 | KCNH2 (0.33) | — | |
| SCHEMBL3615945 | 0.71 | — | — | |
| SCHEMBL3432745 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2257551-B1 | AZATRICYCLIC ANTIBIOTIC COMPOUNDS | ACTELION PHARMACEUTICALS LTD (CH) | 2013-04-10 | — | — | EP | disclosed |
| US-8349828-B2 | Azatricyclic antibiotic compounds | ACTELION PHARMACEUTICALS LTD. (CH) | 2013-01-08 | — | — | US | disclosed |
| US-20100331318-A1 | AZATRICYCLIC ANTIBIOTIC COMPOUNDS | ACTELION PHARMACEUTICALS LTD. (CH) | 2010-12-30 | — | — | US | disclosed |