⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL31265720 | 0.82 | ALDH1A1 (0.33) | — | |
| SCHEMBL6006049 | 0.74 | PIM1 (0.33) | — | |
| SCHEMBL8171638 | 0.74 | BACE1 (0.38) | — | |
| SCHEMBL30697949 | 0.73 | — | — | |
| SCHEMBL29672128 | 0.73 | HTR1A (0.38) | — | |
| SCHEMBL28884930 | 0.70 | KDM4E (0.32) | — | |
| SCHEMBL31275998 | 0.70 | PNMT (0.37) | — | |
| SCHEMBL17133993 | 0.70 | POLB (0.30) | — | |
| SCHEMBL30767827 | 0.68 | PARP1 (0.39) | — | |
| SCHEMBL28610531 | 0.67 | HPGD (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-113135896-A | Methylpyrazole derivatives as RET inhibitors | 正大天晴药业集团股份有限公司 | 2021-07-20 | — | — | CN | disclosed |