⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27873251 | 0.77 | HTR2A (0.33) | — | |
| SCHEMBL27519254 | 0.76 | HTR2A (0.33) | — | |
| SCHEMBL17193804 | 0.70 | HTR2A (0.38) | — | |
| SCHEMBL27379000 | 0.67 | HTR2A (0.33) | — | |
| SCHEMBL28246632 | 0.66 | HTR2A (0.33) | — | |
| SCHEMBL18469541 | 0.64 | HTR2A (0.34) | — | |
| SCHEMBL24203981 | 0.63 | MEN1 (0.37) | — | |
| SCHEMBL30376318 | 0.63 | MEN1 (0.37) | — | |
| SCHEMBL29190477 | 0.63 | TMEM97 (0.41) | — | |
| SCHEMBL12622887 | 0.62 | TMEM97 (0.40) | — |
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-110121499-A | (aza) indole-, benzothiophene-and benzofuran-3-sulfonamides | 优时比制药有限公司 | 2019-08-13 | — | — | CN | disclosed |