⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12193579 | 0.60 | — | — | |
| SCHEMBL8267355 | 0.60 | — | — | |
| SCHEMBL14283515 | 0.60 | — | — | |
| SCHEMBL5554879 | 0.60 | — | — | |
| SCHEMBL12516575 | 0.60 | — | — | |
| SCHEMBL13083477 | 0.57 | — | — | |
| SCHEMBL13818677 | 0.56 | — | — | |
| SCHEMBL12656574 | 0.56 | — | — | |
| SCHEMBL12166378 | 0.55 | — | — | |
| SCHEMBL13698996 | 0.55 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9567333-B2 | Triazolopyridyl compounds as aldosterone synthase inhibitors | MERCK SHARP & DOHME CORP. (US) | 2017-02-14 | — | — | US | disclosed |