⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL714070 | 0.88 | — | — | |
| SCHEMBL714250 | 0.82 | EPHX1 (0.37) | — | |
| SCHEMBL713166 | 0.77 | — | — | |
| SCHEMBL21582231 | 0.77 | EPHX1 (0.42) | — | |
| SCHEMBL4499014 | 0.77 | EPHX1 (0.42) | — | |
| Ethylene Glycol SCHEMBL1876642 | 0.75 | — | — | |
| SCHEMBL254457 | 0.73 | — | — | |
| SCHEMBL969840 | 0.71 | — | — | |
| SCHEMBL3671124 | 0.71 | — | — | |
| SCHEMBL12029062 | 0.71 | CYP4F2 (0.32) | — |
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 61 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106588861-B | A kind of synthetic method of acetoacetate 2,2- ethylenedioxy propyl ester | 千辉药业（安徽）有限责任公司 | 2019-02-05 | — | — | CN | claimed |
| CN-104557678-B | Method for preparing aranidipine | 丹阳恒安化学科技研究所有限公司 | 2017-05-17 | — | — | CN | claimed |
| CN-106588861-A | Method for synthesizing acetoacetic acid 2,2-ethylenedioxy propyl ester | 千辉药业（安徽）有限责任公司 | 2017-04-26 | — | — | CN | claimed |
| CN-104557678-A | Method for preparing aranidipine | DANYANG HENGAN CHEMICAL SCIENCE AND TECHNOLOGY INST CO LTD | 2015-04-29 | — | — | CN | claimed |
| CN-106588861-B | A kind of synthetic method of acetoacetate 2,2- ethylenedioxy propyl ester | 千辉药业（安徽）有限责任公司 | 2019-02-05 | — | — | CN | disclosed |
| CN-106588861-B | A kind of synthetic method of acetoacetate 2,2- ethylenedioxy propyl ester | 千辉药业（安徽）有限责任公司 | 2019-02-05 | — | — | CN | disclosed |
| EP-2970339-B1 | 1-HYDROXY-BENZOOXABOROLES AS ANTIPARASITIC AGENTS | LILLY CO ELI (US) | 2017-08-16 | — | — | EP | disclosed |
| CN-104557678-B | Method for preparing aranidipine | 丹阳恒安化学科技研究所有限公司 | 2017-05-17 | — | — | CN | disclosed |
| CN-104557678-B | Method for preparing aranidipine | 丹阳恒安化学科技研究所有限公司 | 2017-05-17 | — | — | CN | disclosed |
| CN-106588861-A | Method for synthesizing acetoacetic acid 2,2-ethylenedioxy propyl ester | 千辉药业（安徽）有限责任公司 | 2017-04-26 | — | — | CN | disclosed |
| CN-106588861-A | Method for synthesizing acetoacetic acid 2,2-ethylenedioxy propyl ester | 千辉药业（安徽）有限责任公司 | 2017-04-26 | — | — | CN | disclosed |
| US-9617285-B2 | 1-hydroxy-benzooxaboroles as antiparasitic agents | ELI LILLY AND COMPANY (US) | 2017-04-11 | — | — | US | disclosed |
| US-4777175-A | (NAPHTHYRIDINE, QUINOLINE) CARBOXYLIC ACID | WARNER-LAMBERT COMPANY (US) | 1988-10-11 | — | — | US | disclosed |
| US-4771054-A | QUINOLINE CARBOXYLIC ACID | WARNER-LAMBERT COMPANY (US) | 1988-09-13 | — | — | US | disclosed |
| EP-0106489-B1 | ANTIBACTERIAL AGENTS | WARNER-LAMBERT COMPANY (US) | 1988-07-27 | — | — | EP | disclosed |
| US-4665079-A | QUINOLINE DERIVATIVES | WARNER-LAMBERT COMPANY (US) | 1987-05-12 | — | — | US | disclosed |
| US-4638067-A | NAPHTHYRIDINE AND QUINOLINE CARBOXYLIC ACIDS | WARNER-LAMBERT CO. (US) | 1987-01-20 | — | — | US | disclosed |
| EP-0153163-A2 | 7-Substituted-1-cyclopropyl-6,8-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acids; 7-substituted-1-cyclopropyl-1,4-dihydro-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acids; their derivatives; and a process for preparing the compounds | WARNER-LAMBERT COMPANY (US) | 1985-08-28 | — | — | EP | disclosed |
| US-4446325-A | VASODILATION, HYPOTENSIVE AGENTS | MARUKO SEIYAKU CO., LTD. (JP) | 1984-05-01 | — | — | US | disclosed |
| EP-0106489-A2 | Antibacterial agents | WARNER-LAMBERT COMPANY (US) | 1984-04-25 | — | — | EP | disclosed |