⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2960490 | 0.69 | — | — | |
| SCHEMBL7191191 | 0.69 | — | — | |
| SCHEMBL74050 | 0.69 | — | — | |
| SCHEMBL30894608 | 0.69 | — | — | |
| SCHEMBL3685837 | 0.69 | — | — | |
| SCHEMBL18216656 | 0.69 | — | — | |
| SCHEMBL1476811 | 0.69 | — | — | |
| SCHEMBL3648373 | 0.67 | — | — | |
| SCHEMBL17942996 | 0.66 | TSHR (0.31) | — | |
| SCHEMBL191970 | 0.66 | — | — |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4087561-A2 | COMBINATION CANCER THERAPY USING CHK INHIBITOR | Shanghai Huayu Biotechnology Co., Ltd. (CN) | 2022-11-16 | — | — | EP | claimed |
| EP-4087563-A1 | COMBINATION CANCER THERAPY USING CHK INHIBITOR | Shanghai Huayu Biotechnology Co., Ltd. (CN) | 2022-11-16 | — | — | EP | claimed |
| CN-116867372-A | [ (5-phenyl-1-heteroaryl-1H-pyrazol-3-yl) oxy ] acetic acid derivatives as safeners for protecting useful plants and crop plants | 拜耳公司 | 2023-10-10 | — | — | CN | disclosed |
| CN-116332961-A | Substituted heteroaryl compounds, compositions and uses thereof | 广东东阳光药业有限公司 | 2023-06-27 | — | — | CN | disclosed |
| EP-4087561-A2 | COMBINATION CANCER THERAPY USING CHK INHIBITOR | Shanghai Huayu Biotechnology Co., Ltd. (CN) | 2022-11-16 | — | — | EP | disclosed |
| EP-4087563-A1 | COMBINATION CANCER THERAPY USING CHK INHIBITOR | Shanghai Huayu Biotechnology Co., Ltd. (CN) | 2022-11-16 | — | — | EP | disclosed |
| WO-2020117942-A1 | CHOLINE METABOLISM INHIBITORS | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2020-06-11 | — | — | WO | disclosed |
| WO-2020053600-A1 | ENANTIOMERIC COMPOUNDS | OXFORD UNIVERSITY INNOVATION LIMITED (GB) | 2020-03-19 | — | — | WO | disclosed |
| WO-2017100757-A1 | METHODS FOR MAKING CATECHIN DERIVATIVES | UNIVERSITY OF SOUTH FLORIDA (US) | 2017-06-15 | — | — | WO | disclosed |
| CN-104203928-B | Triazineon compounds and T-shaped calcium channel blocker | 日产化学工业株式会社 | 2017-06-06 | — | — | CN | disclosed |
| CN-104203928-A | Triazinone compound and T-type calcium channel inhibitor | NISSAN CHEMICAL IND LTD | 2014-12-10 | — | — | CN | disclosed |
| EP-1534678-A1 | PLEUROMUTILIN DERIVATIVES AS ANTIMICROBBIALS | Sandoz AG (CH) | 2005-06-01 | — | — | EP | disclosed |
| WO-2004011431-A1 | PLEUROMUTILIN DERIVATIVES AS ANTIMICROBBIALS | SANDOZ AG (CH) | 2004-02-05 | — | — | WO | disclosed |
| EP-1307457-A1 | AZABICYCLIC COMPOUNDS, PREPARATION THEREOF AND USE AS MEDICINES, IN PARTICULAR AS ANTIBACTERIAL AGENTS | Aventis Pharma S.A. (FR) | 2003-05-07 | — | — | EP | disclosed |
| WO-2002010172-A1 | AZABICYCLIC COMPOUNDS, PREPARATION THEREOF AND USE AS MEDICINES, IN PARTICULAR AS ANTIBACTERIAL AGENTS | AVENTIS PHARMA SA (FR) | 2002-02-07 | — | — | WO | disclosed |
| CN-1245805-A | Method for preparing substituted piperidine-epoxide | HOFFMANN LA ROCHE (CH) | 2000-03-01 | — | — | CN | disclosed |