⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31601963 | 0.73 | — | — | |
| SCHEMBL1149810 | 0.71 | — | — | |
| SCHEMBL28661453 | 0.71 | — | — | |
| SCHEMBL9867939 | 0.70 | LMNA (0.42) | — | |
| SCHEMBL8139562 | 0.70 | ALDH1A1 (0.37) | — | |
| SCHEMBL301095 | 0.69 | — | — | |
| SCHEMBL298779 | 0.69 | — | — | |
| SCHEMBL2957240 | 0.69 | — | — | |
| SCHEMBL11229278 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL28842862 | 0.67 | — | — |
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-103613583-B | 1,3-substituting group-4-substituted pyrazolecarboxylic acylhydrazone and its preparation method and application | GUIZHOU UNIVERSITY (CN) | 2015-12-02 | — | — | CN | disclosed |