⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8007115 | 0.67 | — | — | |
| SCHEMBL16622953 | 0.61 | HTR2C (0.33) | — | |
| SCHEMBL13488455 | 0.61 | HTR2A (0.35) | — | |
| SCHEMBL13958209 | 0.60 | CYP2D6 (0.37) | — | |
| SCHEMBL798656 | 0.60 | — | — | |
| SCHEMBL970522 | 0.57 | IMPDH2 (0.53) | — | |
| SCHEMBL16372275 | 0.56 | — | — | |
| SCHEMBL6643187 | 0.55 | ALDH1A1 (0.39) | — | |
| SCHEMBL12180911 | 0.52 | — | — | |
| SCHEMBL21549432 | 0.52 | — | — |
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-105408321-B | Indoles and azole derivatives, their preparation method and the pharmaceutical composition containing them | 法国施维雅药厂 | 2019-03-08 | — | — | CN | disclosed |