⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL783983 | 0.83 | ALDH1A1 (0.31) | — | |
| SCHEMBL783630 | 0.77 | HDAC4 (0.33) | — | |
| SCHEMBL783658 | 0.73 | L3MBTL1 (0.32) | — | |
| SCHEMBL783715 | 0.73 | ALDH1A1 (0.43) | — | |
| SCHEMBL784015 | 0.71 | ALDH1A1 (0.35) | — | |
| SCHEMBL56546 | 0.70 | — | — | |
| SCHEMBL11349272 | 0.70 | TSHR (0.36) | — | |
| SCHEMBL9209755 | 0.69 | ALDH1A1 (0.33) | — | |
| Ammonia Solution, Strong SCHEMBL28110856 | 0.69 | ALDH1A1 (0.46) | — | |
| SCHEMBL783994 | 0.68 | ALDH1A1 (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102412416-A | Nonaqueous electrolyte and nonaqueous electrolyte battery | SONY CORP | 2012-04-11 | — | — | CN | disclosed |
| US-20120070730-A1 | NONAQUEOUS ELECTROLYTE AND NONAQUEOUS ELECTROLYTE BATTERY | SONY CORPORATION (JP) | 2012-03-22 | — | — | US | disclosed |
| US-20120070730-A1 | NONAQUEOUS ELECTROLYTE AND NONAQUEOUS ELECTROLYTE BATTERY | SONY CORPORATION (JP) | 2012-03-22 | — | — | US | disclosed |