⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4556157 | 0.97 | — | — | |
| SCHEMBL27868483 | 0.94 | THRB (0.50) | — | |
| SCHEMBL7164575 | 0.94 | — | — | |
| SCHEMBL17009071 | 0.94 | THRB (0.50) | — | |
| SCHEMBL12760684 | 0.94 | THRB (0.50) | — | |
| SCHEMBL10940757 | 0.94 | — | — | |
| SCHEMBL13551004 | 0.94 | THRB (0.50) | — | |
| Tetramethylammonium Ion SCHEMBL17865408 | 0.88 | DNM1 (0.38) | — | |
| SCHEMBL488039 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL27479641 | 0.84 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107501274-B | It can be used as the compound of ATR kinase inhibitor | Votex Pharmaceutical Co., Ltd. (US) | 2019-11-22 | — | — | CN | disclosed |
| CN-107501275-B | It can be used as the compound of ATR kinase inhibitor | Votex Pharmaceutical Co., Ltd. (US) | 2019-11-22 | — | — | CN | disclosed |
| CN-107629059-A | It can be used as the compound of ATR kinase inhibitors | 沃泰克斯药物股份有限公司 | 2018-01-26 | — | — | CN | disclosed |
| CN-107501274-A | It can be used as the compound of ATR kinase inhibitors | 沃泰克斯药物股份有限公司 | 2017-12-22 | — | — | CN | disclosed |
| CN-107501275-A | It can be used as the compound of ATR kinase inhibitors | 沃泰克斯药物股份有限公司 | 2017-12-22 | — | — | CN | disclosed |
| CN-104903325-B | Compounds useful as inhibitors of ATR kinase | 沃泰克斯药物股份有限公司 | 2017-10-20 | — | — | CN | disclosed |
| CN-103675259-B | Analysis method | 阿克西斯-希尔德公司 | 2017-07-04 | — | — | CN | disclosed |
| CN-105849118-A | Macrocyclic HCV NS3 inhibits the synthesis of tripeptides | 吉利德科学公司 | 2016-08-10 | — | — | CN | disclosed |
| CN-102652136-A | 3,4,4a,10b-tetrahydro-1h-thiopyrano-[4, 3-c] isoquinoline derivatives | NYCOMED GMBH | 2012-08-29 | — | — | CN | disclosed |