⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24862257 | 0.73 | — | — | |
| SCHEMBL2485646 | 0.73 | — | — | |
| SCHEMBL27769968 | 0.72 | THRB (0.33) | — | |
| SCHEMBL575214 | 0.72 | CYP1A2 (0.31) | — | |
| SCHEMBL4136179 | 0.71 | CES2 (0.30) | — | |
| Ammonia Solution, Strong SCHEMBL9441897 | 0.69 | — | — | |
| SCHEMBL575215 | 0.69 | SHBG (0.31) | — | |
| SCHEMBL4136177 | 0.69 | — | — | |
| SCHEMBL672155 | 0.65 | CA1 (0.36) | — | |
| SCHEMBL20578002 | 0.64 | ALDH1A1 (0.30) | — |
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-105633345-A | Nonaqueous electrolyte solution for secondary battery and nonaqueous electrolyte secondary battery using same | MITSUBISHI CHEM CORP | 2016-06-01 | — | — | CN | disclosed |