⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7026720 | 0.92 | HMGCR (0.31) | — | |
| Bromide SCHEMBL28162241 | 0.90 | HMGCR (0.31) | — | |
| SCHEMBL20927578 | 0.82 | ATM (0.34) | — | |
| SCHEMBL7016897 | 0.76 | HRH3 (0.38) | — | |
| SCHEMBL370841 | 0.74 | TDP1 (0.35) | — | |
| SCHEMBL27671187 | 0.73 | LIPG (0.38) | — | |
| SCHEMBL28300226 | 0.73 | LIPG (0.38) | — | |
| SCHEMBL28300224 | 0.73 | LIPG (0.38) | — | |
| Bromide SCHEMBL28162683 | 0.72 | LIPG (0.37) | — | |
| Bromide SCHEMBL28162087 | 0.72 | LIPG (0.37) | — |
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-106831583-B | N, N- dialkyl group substituted pyrazolecarboxylic ionic liquid, preparation method and its method for catalyzing and synthesizing propene carbonate | 河南大学 | 2019-05-10 | — | — | CN | disclosed |
| CN-106831583-A | N, N dialkyl group substituted pyrazolecarboxylic ionic liquid, preparation method and its method for catalyzing and synthesizing propene carbonate | 河南大学 | 2017-06-13 | — | — | CN | disclosed |