⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6309094 | 0.81 | ALDH1A1 (0.31) | — | |
| SCHEMBL1654390 | 0.81 | ALDH1A1 (0.31) | — | |
| SCHEMBL86346 | 0.81 | ALDH1A1 (0.31) | — | |
| SCHEMBL186025 | 0.81 | ALDH1A1 (0.31) | — | |
| SCHEMBL31316344 | 0.77 | — | — | |
| SCHEMBL24434310 | 0.74 | — | — | |
| SCHEMBL18098184 | 0.74 | PDK1 (0.30) | — | |
| SCHEMBL22624044 | 0.74 | — | — | |
| SCHEMBL9478164 | 0.74 | — | — | |
| SCHEMBL1736289 | 0.74 | PDK1 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9455476-B2 | Electrolyte and secondary battery | SONY CORPORATION (JP) | 2016-09-27 | — | — | US | disclosed |