⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1260717 | 0.83 | MEN1 (0.32) | — | |
| SCHEMBL3942477 | 0.79 | — | — | |
| SCHEMBL20576273 | 0.77 | HTT (0.30) | — | |
| SCHEMBL7153268 | 0.77 | — | — | |
| SCHEMBL7151864 | 0.74 | — | — | |
| SCHEMBL1256188 | 0.72 | MEN1 (0.32) | — | |
| SCHEMBL457384 | 0.71 | — | — | |
| SCHEMBL2051206 | 0.71 | — | — | |
| SCHEMBL7153259 | 0.70 | — | — | |
| SCHEMBL7155204 | 0.70 | CYP1A2 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0757399-B1 | Non-aqueous electrolyte and lithium secondary battery | SUMITOMO CHEMICAL CO (JP) | 2003-04-02 | — | — | EP | disclosed |
| US-5795677-A | Non-aqueous electrolyte and lithium secondary battery | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1998-08-18 | — | — | US | disclosed |
| EP-0757399-A1 | Non-aqueous electrolyte and lithium secondary battery | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1997-02-05 | — | — | EP | disclosed |