⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23214460 | 0.75 | KMT2A (0.31) | — | |
| SCHEMBL23240258 | 0.72 | — | — | |
| SCHEMBL22225023 | 0.61 | MEN1 (0.38) | — | |
| Hydrochloric Acid SCHEMBL960244 | 0.61 | GAA (0.32) | — | |
| SCHEMBL4783279 | 0.60 | ADORA2A (0.31) | — | |
| SCHEMBL5655726 | 0.60 | KDM4E (0.31) | — | |
| Alcohol SCHEMBL1151831 | 0.58 | ALDH1A1 (0.40) | — | |
| SCHEMBL21960147 | 0.58 | ADORA2A (0.33) | — | |
| SCHEMBL11519195 | 0.57 | — | — | |
| SCHEMBL4785502 | 0.57 | ADORA2A (0.32) | — |
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 |