⚠ 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 | |
|---|---|---|---|---|
| Boric Acid SCHEMBL29245256 | 0.93 | — | — | |
| SCHEMBL9569864 | 0.85 | TRPA1 (0.33) | — | |
| SCHEMBL34343 | 0.82 | THRB (0.37) | — | |
| SCHEMBL28185718 | 0.79 | — | — | |
| SCHEMBL28580704 | 0.79 | — | — | |
| Boric Acid SCHEMBL29245253 | 0.78 | CYP2C19 (0.30) | — | |
| SCHEMBL291551 | 0.77 | — | — | |
| SCHEMBL3144356 | 0.77 | TSHR (0.38) | — | |
| SCHEMBL3109285 | 0.77 | TSHR (0.43) | — | |
| SCHEMBL4673500 | 0.76 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108475822-A | Non-aqueous electrolyte for secondary battery and the secondary cell for having it | 斯泰拉化工公司 | 2018-08-31 | — | — | CN | disclosed |
| CN-107431245-A | Non-aqueous electrolyte for secondary battery and the secondary cell for possessing it | 斯泰拉化工公司 | 2017-12-01 | — | — | CN | disclosed |
| CN-107408732-A | Non-aqueous electrolyte for secondary battery and the secondary cell for possessing it | 斯泰拉化工公司 | 2017-11-28 | — | — | CN | disclosed |