⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL434897 | 0.96 | TSHR (0.32) | — | |
| SCHEMBL28267229 | 0.96 | TSHR (0.32) | — | |
| SCHEMBL2328352 | 0.94 | TSHR (0.31) | — | |
| SCHEMBL28546848 | 0.94 | TSHR (0.31) | — | |
| SCHEMBL4669207 | 0.94 | TSHR (0.31) | — | |
| SCHEMBL28552395 | 0.94 | TSHR (0.31) | — | |
| SCHEMBL28317988 | 0.90 | ALDH1A1 (0.41) | — | |
| SCHEMBL28221198 | 0.90 | — | — | |
| SCHEMBL31298528 | 0.88 | TSHR (0.33) | — | |
| Glycerin SCHEMBL28088489 | 0.88 | — | — |
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-110231755-B | Photoresist composition, pixel defining layer, preparation method and application thereof | 京东方科技集团股份有限公司 | 2020-06-19 | — | — | CN | disclosed |