⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1493001 | 0.91 | CYP3A4 (0.31) | — | |
| SCHEMBL8167800 | 0.84 | ALDH1A1 (0.48) | — | |
| SCHEMBL3981386 | 0.83 | ESR1 (0.31) | — | |
| SCHEMBL16165919 | 0.77 | CDC25B (0.36) | — | |
| SCHEMBL8615226 | 0.74 | CYP3A4 (0.33) | — | |
| SCHEMBL163750 | 0.74 | ESR1 (0.43) | — | |
| Triphenylene SCHEMBL9343142 | 0.73 | HSD17B10 (0.35) | — | |
| SCHEMBL9164483 | 0.72 | CYP3A4 (0.45) | — | |
| SCHEMBL20146 | 0.71 | MIF (0.40) | — | |
| SCHEMBL165792 | 0.71 | MIF (0.40) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9153843-B2 | Negative electrode including solid electrolyte interface coating containing crosslinked isocyanate compound, nonaqueous electrolyte secondary battery and method for manufacturing the same | SONY CORPORATION (JP) | 2015-10-06 | — | — | US | disclosed |
| US-20110052953-A1 | NEGATIVE ELECTRODE, NONAQUEOUS ELECTROLYTE SECONDARY BATTERY AND METHOD FOR MANUFACTURING THE SAME | SONY CORPORATION (JP) | 2011-03-03 | — | — | US | disclosed |