⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29284661 | 0.86 | KDM4E (0.35) | — | |
| SCHEMBL29284665 | 0.81 | — | — | |
| SCHEMBL29284657 | 0.79 | POLB (0.31) | — | |
| SCHEMBL29284679 | 0.74 | — | — | |
| SCHEMBL29284673 | 0.69 | KDM4E (0.38) | — | |
| Hydrochloric Acid SCHEMBL29284675 | 0.68 | KDM4E (0.37) | — | |
| SCHEMBL29284670 | 0.68 | MAPT (0.46) | — | |
| SCHEMBL29284672 | 0.65 | PTGS2 (0.30) | — | |
| SCHEMBL29284686 | 0.63 | KMO (0.30) | — | |
| SCHEMBL29284662 | 0.61 | KMT2A (0.42) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118206533-A | N-pyridazine pyrazole amide compounds | 湖南化工研究院有限公司 | 2024-06-18 | — | — | CN | claimed |
| CN-118206533-A | N-pyridazine pyrazole amide compounds | 湖南化工研究院有限公司 | 2024-06-18 | — | — | CN | disclosed |