⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20734016 | 0.74 | — | — | |
| SCHEMBL23894741 | 0.74 | GSK3A (0.38) | — | |
| SCHEMBL7945735 | 0.74 | — | — | |
| SCHEMBL14513907 | 0.72 | — | — | |
| SCHEMBL222860 | 0.72 | — | — | |
| SCHEMBL14872073 | 0.72 | — | — | |
| SCHEMBL472573 | 0.71 | GSK3A (0.42) | — | |
| SCHEMBL18863391 | 0.71 | GSK3A (0.32) | — | |
| SCHEMBL23153195 | 0.69 | GSK3A (0.35) | — | |
| SCHEMBL145601 | 0.69 | KMT2A (0.35) | — |
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-6790555-B2 | PASSIVATING ADDITIVE PRECLUDES FORMATION OF GAS WITHIN THE CELL AS RESULT OF DECOMPOSITION OF SOLVENTS CONTAINED WITHIN THE ELECTROLYTE; RETENTION | MITSUBISHI CHEMICAL CORPORATION (JP) | 2004-09-14 | — | — | US | disclosed |
| US-20020106560-A1 | Passivating additive precludes formation of gas within the cell as result of decomposition of solvents contained within the electrolyte; retention | MITSUBISHI CHEMICAL CORPORATION (JP) | 2002-08-08 | — | — | US | disclosed |