⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL240103 | 0.79 | — | — | |
| SCHEMBL14252444 | 0.79 | — | — | |
| SCHEMBL240102 | 0.79 | — | — | |
| SCHEMBL7089266 | 0.69 | — | — | |
| SCHEMBL7089268 | 0.69 | — | — | |
| SCHEMBL3336286 | 0.65 | — | — | |
| SCHEMBL20102639 | 0.63 | — | — | |
| SCHEMBL17707324 | 0.62 | — | — | |
| SCHEMBL17113630 | 0.62 | — | — | |
| SCHEMBL17707328 | 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-106164049-A | Process for preparing 3, 5-di (haloalkyl) pyrazole derivatives from alpha, alpha-dihaloamines and ketimines | 拜耳作物科学股份公司 | 2016-11-23 | — | — | CN | disclosed |