⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1010402 | 0.75 | — | — | |
| SCHEMBL23913538 | 0.63 | — | — | |
| SCHEMBL23913163 | 0.54 | — | — | |
| SCHEMBL6153529 | 0.53 | — | — | |
| SCHEMBL23913655 | 0.50 | — | — | |
| SCHEMBL3930465 | 0.47 | ALOX15 (0.33) | — | |
| Hydrochloric Acid SCHEMBL10570408 | 0.45 | — | — | |
| SCHEMBL12128266 | 0.42 | — | — | |
| SCHEMBL5011399 | 0.41 | — | — | |
| SCHEMBL1615269 | 0.41 | ALOX15 (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 |
|---|---|---|---|---|---|---|---|
| CN-110143963-B | Pyridazine compound with sterilization and disinfection activity and preparation method and application thereof | 河南科技大学第一附属医院 | 2020-04-28 | — | — | CN | claimed |