⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5451601 | 0.97 | — | — | |
| SCHEMBL24649639 | 0.72 | — | — | |
| SCHEMBL3102539 | 0.72 | — | — | |
| SCHEMBL3110492 | 0.72 | — | — | |
| SCHEMBL5802614 | 0.71 | — | — | |
| SCHEMBL3061566 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL20526534 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL1336055 | 0.70 | — | — | |
| SCHEMBL31703968 | 0.70 | USP2 (0.52) | — | |
| SCHEMBL21721708 | 0.68 | — | — |
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-108069936-A | A kind of synthesis and its application of polyhalo pyrazoles formyl urea derivative | 江苏扬农化工股份有限公司 | 2018-05-25 | — | — | CN | disclosed |