⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28149537 | 0.78 | — | — | |
| SCHEMBL3299976 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL17494054 | 0.73 | SMN1; SMN2 (0.31) | — | |
| SCHEMBL12778661 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL3764159 | 0.69 | HPGD (0.53) | — | |
| SCHEMBL3664304 | 0.69 | HPGD (0.37) | — | |
| SCHEMBL2585609 | 0.67 | — | — | |
| SCHEMBL7500343 | 0.66 | NPSR1 (0.39) | — | |
| SCHEMBL2523376 | 0.66 | LMNA (0.62) | — | |
| SCHEMBL16619955 | 0.66 | HCAR2 (0.43) | — |
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-105712932-B | A kind of preparation and application of the pyrazoles oxime ether compound of -3- of methyl containing 1- aryl -4- chlorine pyrrazole structure | 南通大学 | 2019-01-22 | — | — | CN | disclosed |