⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2482013 | 0.97 | — | — | |
| SCHEMBL8350788 | 0.92 | TSHR (0.41) | — | |
| SCHEMBL28036959 | 0.87 | TSHR (0.43) | — | |
| SCHEMBL31422748 | 0.86 | TSHR (0.41) | — | |
| SCHEMBL9007906 | 0.86 | — | — | |
| SCHEMBL1402297 | 0.78 | — | — | |
| SCHEMBL19954072 | 0.78 | TSHR (0.40) | — | |
| SCHEMBL3076033 | 0.77 | — | — | |
| SCHEMBL330434 | 0.77 | — | — | |
| SCHEMBL28537177 | 0.77 | TSHR (0.52) | — |
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-106496173-A | Method for preparing the compound that can be used as ATR kinase inhibitors | 沃泰克斯药物股份有限公司 | 2017-03-15 | — | — | CN | disclosed |
| CN-103987709-B | Process for preparing compounds useful as inhibitors of ATR kinase | 沃泰克斯药物股份有限公司 | 2016-09-28 | — | — | CN | disclosed |