⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16195420 | 0.89 | PDE10A (0.34) | — | |
| SCHEMBL31274085 | 0.74 | MAPKAPK2 (0.37) | — | |
| SCHEMBL3843486 | 0.72 | PDE10A (0.33) | — | |
| SCHEMBL3841292 | 0.72 | PDE10A (0.42) | — | |
| SCHEMBL31416583 | 0.71 | MAPKAPK2 (0.40) | — | |
| SCHEMBL30206097 | 0.70 | ALDH1A1 (0.41) | — | |
| SCHEMBL3839159 | 0.68 | PDE10A (0.34) | — | |
| Formamide SCHEMBL28510088 | 0.67 | MAPKAPK2 (0.34) | — | |
| SCHEMBL19068151 | 0.67 | TDO2 (0.36) | — | |
| SCHEMBL31416695 | 0.66 | POLB (0.31) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111423387-B | Preparation method of Giltertinib key intermediate | 苏州康纯医药科技有限公司 | 2022-03-08 | — | — | CN | disclosed |
| CN-111423387-A | Preparation method of Giltertinib key intermediate | 苏州康纯医药科技有限公司 | 2020-07-17 | — | — | CN | disclosed |