⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5281409 | 0.76 | — | — | |
| SCHEMBL1588593 | 0.73 | CA12 (0.35) | — | |
| SCHEMBL4511352 | 0.70 | TSHR (0.42) | — | |
| SCHEMBL317331 | 0.64 | RYR2 (0.31) | — | |
| Thioxanthene SCHEMBL38656962 | 0.64 | ALDH1A1 (0.47) | — | |
| Thioxanthene SCHEMBL29398734 | 0.64 | ALDH1A1 (0.47) | — | |
| SCHEMBL29213865 | 0.62 | RYR2 (0.42) | — | |
| SCHEMBL1913189 | 0.60 | GAA (0.50) | — | |
| SCHEMBL8604237 | 0.60 | CES1 (0.39) | — | |
| SCHEMBL31337691 | 0.60 | ALDH1A1 (0.43) | — |
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-111225957-B | Coloring composition containing salt-forming compound composed of xanthene cationic dye and organic anion, and coloring agent for color filter | 保土谷化学工业株式会社 | 2022-08-12 | — | — | CN | disclosed |