⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27336385 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL6368777 | 0.74 | — | — | |
| SCHEMBL18614624 | 0.67 | — | — | |
| Nitrous Acid SCHEMBL27325558 | 0.67 | — | — | |
| SCHEMBL6464636 | 0.67 | — | — | |
| SCHEMBL11662882 | 0.67 | — | — | |
| SCHEMBL27571019 | 0.64 | P2RX4 (0.37) | — | |
| SCHEMBL28034490 | 0.64 | USP2 (0.34) | — | |
| SCHEMBL27815976 | 0.63 | — | — | |
| SCHEMBL28263550 | 0.62 | — | — |
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-117545757-A | 5-oxo-pyrido [2,3-d ] pyridazin-6 (5H) -ylacetamides | 詹森药业有限公司 | 2024-02-09 | — | — | CN | disclosed |