⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL801037 | 1.00 | — | — | |
| SCHEMBL800997 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL38664539 | 0.97 | PDE2A (0.34) | — | |
| SCHEMBL2424797 | 0.79 | — | — | |
| SCHEMBL3499706 | 0.79 | — | — | |
| SCHEMBL801185 | 0.79 | — | — | |
| SCHEMBL14738948 | 0.77 | — | — | |
| SCHEMBL4762655 | 0.77 | — | — | |
| SCHEMBL16416404 | 0.77 | — | — | |
| SCHEMBL7940515 | 0.77 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8455522-B2 | Benzoxazolone derivatives as aldosterone synthase inhibitors | NOVARTIS AG (CH) | 2013-06-04 | — | — | US | disclosed |
| US-20120071514-A1 | BENZOXAZOLONE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS | NOVARTIS AG (CH) | 2012-03-22 | — | — | US | disclosed |