⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17037420 | 1.00 | — | — | |
| SCHEMBL6188826 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL29395704 | 0.97 | SLC7A5 (0.42) | — | |
| Hydrochloric Acid SCHEMBL31127448 | 0.97 | SLC7A5 (0.42) | — | |
| SCHEMBL8061298 | 0.79 | — | — | |
| SCHEMBL27782180 | 0.79 | SLC7A5 (0.31) | — | |
| SCHEMBL8722958 | 0.79 | SLC7A5 (0.31) | — | |
| SCHEMBL27836897 | 0.77 | ENPEP (0.30) | — | |
| SCHEMBL8587984 | 0.77 | — | — | |
| SCHEMBL5275830 | 0.76 | SLC1A3 (0.39) | — |
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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117794896-A | Protease inhibitors for the treatment of coronavirus infections | 斯克里普斯研究学院 | 2024-03-29 | — | — | CN | claimed |
| CN-107759601-B | Preparation method of JAK inhibitor and salt thereof | 苏州旺山旺水生物医药有限公司 | 2020-09-11 | — | — | CN | claimed |
| CN-107759623-B | Intermediate of JAK inhibitor and preparation method thereof | 苏州旺山旺水生物医药有限公司 | 2020-08-14 | — | — | CN | claimed |
| CN-117794896-A | Protease inhibitors for the treatment of coronavirus infections | 斯克里普斯研究学院 | 2024-03-29 | — | — | CN | disclosed |
| CN-115475163-A | Application of diphtheria amide in preparation of medicine or kit for treating or diagnosing DEDSSH | 重庆医科大学附属儿童医院 | 2022-12-16 | — | — | CN | disclosed |
| CN-109790541-B | Methods of analyzing and optimizing gene editing modules and delivery protocols | 豪夫迈·罗氏有限公司 | 2022-12-09 | — | — | CN | disclosed |
| EP-4006028-A1 | IRAK4 KINASE INHIBITOR AND PREPARATION METHOD THEREFOR | Zhuhai Yufan Biotechnologies Co., Ltd (CN) | 2022-06-01 | — | — | EP | disclosed |
| CN-114214375-A | Preparation method of (R) -3- (4-halo-1H-pyrazol-1-yl) -3-cyclopentyl propionate | 江苏威凯尔医药科技有限公司 | 2022-03-22 | — | — | CN | disclosed |
| EP-3177611-B1 | OPTIONALLY FUSED HETEROCYCLYL-SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES | NUEVOLUTION AS (DK) | 2021-10-06 | — | — | EP | disclosed |
| WO-2021018012-A1 | IRAK4 KINASE INHIBITOR AND PREPARATION METHOD THEREFOR | 珠海宇繁生物科技有限责任公司 | 2021-02-04 | — | — | WO | disclosed |
| CN-107759601-B | Preparation method of JAK inhibitor and salt thereof | 苏州旺山旺水生物医药有限公司 | 2020-09-11 | — | — | CN | disclosed |
| US-20170298027-A1 | PYRIMIDINES AS SODIUM CHANNEL BLOCKERS | PURDUE PHARMA L.P. (US) | 2017-10-19 | — | — | US | disclosed |
| US-9656968-B2 | Pyrimidines as sodium channel blockers | PURDUE PHARMA L.P. | 2017-05-23 | — | — | US | disclosed |
| US-9242984-B2 | Pyrazolyl derivatives as Syk inhibitors | MERCK SHARP & DOHME CORP. (US) | 2016-01-26 | — | — | US | disclosed |
| US-20150191461-A1 | PYRAZOLYL DERIVATIVES AS SYK INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2015-07-09 | — | — | US | disclosed |
| CN-100364981-C | Chiral dibenz [a,c] suberyl diallyl double oxazoline ligand compound and its preparation and application | UNIV BEIJING (CN) | 2008-01-30 | — | — | CN | disclosed |
| WO-2005106025-A1 | METABOLIC TEST | PML APPLICATIONS LTD. (GB) | 2005-11-10 | — | — | WO | disclosed |
| US-6894007-B2 | Additives for inhibiting gas hydrate formation | CLARIANT GMBH (DE) | 2005-05-17 | — | — | US | disclosed |
| CN-1429822-A | Chiral dibenz [a,c] suberyl diallyl double oxazoline ligand compound and its preparation and application | UNIV BEIJING (CN) | 2003-07-16 | — | — | CN | disclosed |
| US-20030013614-A1 | Additives for inhibiting gas hydrate formation | CLARIANT GMBH | 2003-01-16 | — | — | US | disclosed |