⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13602734 | 0.81 | CES1 (0.32) | — | |
| SCHEMBL24241378 | 0.76 | ALDH1A1 (0.33) | — | |
| SCHEMBL11995519 | 0.76 | ALDH1A1 (0.33) | — | |
| SCHEMBL26014206 | 0.76 | ALDH1A1 (0.33) | — | |
| SCHEMBL14850894 | 0.72 | — | — | |
| SCHEMBL17357651 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL27806822 | 0.67 | — | — | |
| SCHEMBL9358210 | 0.63 | — | — | |
| SCHEMBL18098188 | 0.63 | ALDH1A1 (0.30) | — | |
| SCHEMBL892060 | 0.62 | — | — |
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 |