⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13330207 | 1.00 | — | — | |
| SCHEMBL12902024 | 1.00 | — | — | |
| SCHEMBL12902011 | 1.00 | — | — | |
| SCHEMBL12902010 | 1.00 | — | — | |
| SCHEMBL12902009 | 1.00 | — | — | |
| SCHEMBL17686127 | 1.00 | — | — | |
| SCHEMBL17686126 | 1.00 | — | — | |
| SCHEMBL10825725 | 0.86 | CHRNB2 (0.33) | — | |
| SCHEMBL24690456 | 0.85 | TSHR (0.35) | — | |
| SCHEMBL20248617 | 0.85 | TSHR (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-107108587-B | Aldosterone synthase inhibitors | 勃林格殷格翰国际有限公司 | 2020-05-22 | — | — | CN | disclosed |