⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL608487 | 0.89 | CA1 (0.30) | — | |
| SCHEMBL495294 | 0.83 | — | — | |
| SCHEMBL10726217 | 0.78 | — | — | |
| SCHEMBL17466331 | 0.76 | USP2 (0.33) | — | |
| SCHEMBL17456435 | 0.74 | CA1 (0.42) | — | |
| SCHEMBL2057519 | 0.72 | — | — | |
| SCHEMBL537763 | 0.72 | USP2 (0.35) | — | |
| SCHEMBL17491123 | 0.72 | KDM4E (0.33) | — | |
| SCHEMBL28019592 | 0.72 | CA1 (0.40) | — | |
| SCHEMBL17456571 | 0.72 | CA1 (0.48) | — |
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-108242557-B | Electrolyte solution and secondary battery | 宁德时代新能源科技股份有限公司 | 2020-08-28 | — | — | CN | disclosed |