⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13637879 | 0.81 | MPO (0.33) | — | |
| SCHEMBL2649843 | 0.79 | PIK3CD (0.32) | — | |
| SCHEMBL17768600 | 0.79 | BPTF (0.31) | — | |
| SCHEMBL1528250 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL941062 | 0.70 | — | — | |
| SCHEMBL2648560 | 0.68 | — | — | |
| SCHEMBL11967315 | 0.67 | PIK3CA (0.30) | — | |
| SCHEMBL11836639 | 0.67 | — | — | |
| SCHEMBL17768671 | 0.64 | PIK3CD (0.32) | — | |
| SCHEMBL7089605 | 0.64 | ALDH1A1 (0.50) | — |
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-0065217-A2 | 5-Haloalkyl-1,2,4-triazole and process for their preparation | HOECHST AKTIENGESELLSCHAFT (DE) | 1982-11-24 | — | — | EP | disclosed |