⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL577447 | 0.88 | CXCR4 (0.41) | — | |
| SCHEMBL577085 | 0.85 | HIF1A (0.32) | — | |
| SCHEMBL577245 | 0.85 | HIF1A (0.32) | — | |
| SCHEMBL576502 | 0.84 | CXCR4 (0.41) | — | |
| SCHEMBL3119128 | 0.65 | CRBN (0.42) | — | |
| SCHEMBL1876188 | 0.64 | CRBN (0.32) | — | |
| SCHEMBL9404123 | 0.64 | — | — | |
| Pyrrolidine SCHEMBL20271397 | 0.64 | ALDH1A1 (0.47) | — | |
| SCHEMBL16924883 | 0.63 | LMNA (0.50) | — | |
| Pyrrolidine SCHEMBL6582217 | 0.62 | CXCR4 (0.61) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2597717-A1 | Nonaqueous electrolyte for secondary battery and nonaqueous-electrolyte secondary battery employing the same | Mitsubishi Chemical Corporation (JP) | 2013-05-29 | — | — | EP | disclosed |