⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17724558 | 0.80 | — | — | |
| SCHEMBL22911777 | 0.77 | — | — | |
| SCHEMBL17709718 | 0.73 | GABRR1 (0.30) | — | |
| SCHEMBL3792477 | 0.70 | — | — | |
| SCHEMBL7626859 | 0.70 | — | — | |
| SCHEMBL5010463 | 0.68 | ALDH1A1 (0.31) | — | |
| SCHEMBL22911743 | 0.67 | — | — | |
| SCHEMBL1306844 | 0.66 | — | — | |
| SCHEMBL39985 | 0.66 | — | — | |
| SCHEMBL5008277 | 0.65 | ALDH1A1 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-115280556-A | Conductive material dispersion liquid, positive electrode for lithium ion secondary battery using same, and method for producing lithium ion secondary battery | 御国色素株式会社 | 2022-11-01 | — | — | CN | disclosed |