⚠ 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 SCHEMBL23358211 | 0.98 | — | — | |
| SCHEMBL24819506 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL30037141 | 0.85 | — | — | |
| Trifluoroacetic Acid SCHEMBL23119929 | 0.82 | — | — | |
| SCHEMBL16754188 | 0.82 | — | — | |
| SCHEMBL20898702 | 0.82 | — | — | |
| SCHEMBL20898513 | 0.77 | — | — | |
| SCHEMBL29753717 | 0.76 | — | — | |
| SCHEMBL31124912 | 0.75 | — | — | |
| SCHEMBL31460294 | 0.74 | CYP1A2 (0.31) | — |
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-110483514-B | Cyano-substituted cyclic hydrazine derivative and application thereof | 启元生物(杭州)有限公司 | 2022-06-14 | — | — | CN | disclosed |