⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10379765 | 0.57 | — | — | |
| SCHEMBL1396036 | 0.52 | — | — | |
| SCHEMBL22723588 | 0.52 | ALDH1A1 (0.41) | — | |
| SCHEMBL1616764 | 0.50 | SLC18A3 (0.33) | — | |
| SCHEMBL15556894 | 0.50 | ALDH1A1 (0.35) | — | |
| Hydrochloric Acid SCHEMBL1617127 | 0.49 | ALDH1A1 (0.32) | — | |
| SCHEMBL2148090 | 0.49 | ALDH1A1 (0.37) | — | |
| SCHEMBL4020631 | 0.48 | SLC18A3 (0.34) | — | |
| SCHEMBL165512 | 0.48 | CES2 (0.40) | — | |
| SCHEMBL164140 | 0.48 | CES2 (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 |
|---|---|---|---|---|---|---|---|
| EP-0525879-A1 | Pyrazole derivatives | Akzo Nobel N.V. (NL) | 1993-02-03 | — | — | EP | disclosed |