⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4132184 | 0.88 | — | — | |
| SCHEMBL13021220 | 0.73 | CYP1A2 (0.40) | — | |
| SCHEMBL2567163 | 0.72 | — | — | |
| SCHEMBL4126698 | 0.72 | — | — | |
| SCHEMBL873746 | 0.72 | — | — | |
| SCHEMBL22696932 | 0.70 | — | — | |
| SCHEMBL23887960 | 0.67 | — | — | |
| SCHEMBL2567171 | 0.67 | — | — | |
| SCHEMBL101752 | 0.67 | — | — | |
| SCHEMBL6222795 | 0.65 | ALDH1A1 (0.46) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022228522-A1 | ALKYNE COMPOUND AS HPK1 INHIBITOR AND USE THEREOF | 江苏先声药业有限公司 | 2022-11-03 | — | — | WO | disclosed |
| US-11434205-B2 | Substituted imidazole carboxylate derivatives and the use thereof | CHENGDU MFS PHARMA. CO., LTD. (CN) | 2022-09-06 | — | — | US | disclosed |
| EP-3747869-A1 | SUBSTITUTED IMIDAZOLE FORMATE DERIVATIVE AND USE THEREOF | CHENGDU MFS PHARMA. CO., LTD. (CN) | 2020-12-09 | — | — | EP | disclosed |
| EP-3747869-A1 | SUBSTITUTED IMIDAZOLE FORMATE DERIVATIVE AND USE THEREOF | CHENGDU MFS PHARMA. CO., LTD. (CN) | 2020-12-09 | — | — | EP | disclosed |
| US-20200369621-A1 | SUBSTITUTED IMIDAZOLECARBOXYLATE DERIVATIVES AND THE USE THEREOF | CHENGDU MFS PHARMA. CO., LTD. (CN) | 2020-11-26 | — | — | US | disclosed |
| WO-2019149228-A1 | SUBSTITUTED IMIDAZOLE FORMATE DERIVATIVE AND USE THEREOF | 成都安诺晨创医药科技有限公司 | 2019-08-08 | — | — | WO | disclosed |
| WO-2019149228-A1 | SUBSTITUTED IMIDAZOLE FORMATE DERIVATIVE AND USE THEREOF | 成都安诺晨创医药科技有限公司 | 2019-08-08 | — | — | WO | disclosed |
| CN-109776512-A | N-substituted imidazole formate derivative and application thereof | 成都安诺晨创医药科技有限公司 | 2019-05-21 | — | — | CN | disclosed |