⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11372929 | 0.84 | TSHR (0.36) | — | |
| SCHEMBL27472108 | 0.80 | — | — | |
| SCHEMBL17499016 | 0.80 | — | — | |
| Acetic Acid SCHEMBL11151335 | 0.79 | FFAR3 (0.47) | — | |
| SCHEMBL16972287 | 0.79 | — | — | |
| Acetic Acid SCHEMBL2946773 | 0.75 | FFAR3 (0.39) | — | |
| SCHEMBL27523975 | 0.75 | TSHR (0.43) | — | |
| SCHEMBL3271834 | 0.75 | TSHR (0.53) | — | |
| SCHEMBL27857479 | 0.74 | MGAM (0.46) | — | |
| SCHEMBL27551891 | 0.74 | ALDH1A1 (0.43) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1125497-B1 | Product for virucidal disinfection of the hands | KESLA FORSCHUNG U SERVICE KG (DE) | 2003-06-18 | — | — | EP | claimed |
| CN-106360070-A | Special feed for geese at breeding period | 安徽百信饲料有限公司 | 2017-02-01 | — | — | CN | disclosed |
| CN-103420953-B | A kind of method of purifying orlistat intermediate | HANGZHOU HUADONG MEDICINE GROUP NEW MEDICINE RESEARCH INSTITUTE CO., LTD. (CN) | 2015-10-21 | — | — | CN | disclosed |
| CN-103420953-A | Method for purifying orlistat intermediate | HANGZHOU HUADONG MEDICINE GROUP BIOLOGY ENG RES CO LTD | 2013-12-04 | — | — | CN | disclosed |
| US-7872038-B2 | Low dosage oral veterinary medication; insects, arachnids and helminths | MERIAL LIMITED (US) | 2011-01-18 | — | — | US | disclosed |
| EP-0169410-B1 | CARBAPENEMS HAVING A 2-QUATERNARY PYRIDINE ALTYLTHIO OR PYRIDINE ALKENYLTHIO SUBSTITUENT, COMPOSITIONS CONTAINING THE SAME AND COMBINATIONS WITH DHP INHIBITORS | MERCK & CO. INC. (US) | 1993-02-24 | — | — | EP | disclosed |
| US-4952397-A | HAVING PYRIDINIUM GROUP; ADMINISTERED WITH A DEHYDROPEPTIDASE INHIBITOR | MERCK & CO., INC. (US) | 1990-08-28 | — | — | US | disclosed |
| EP-0169410-A1 | Carbapenems having a 2-quaternary pyridine altylthio or pyridine alkenylthio substituent, compositions containing the same and combinations with DHP inhibitors | MERCK & CO. INC. (US) | 1986-01-29 | — | — | EP | disclosed |
| EP-0168707-A1 | 1-Methylcarbapenems having a 2-quaternary heteroarylalkylthio substituent | MERCK & CO. INC. (US) | 1986-01-22 | — | — | EP | disclosed |
| US-3953482-A | HYDROGEN CHLORIDE CATALYST | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JA) | 1976-04-27 | — | — | US | disclosed |