⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28101557 | 1.00 | — | — | |
| Malonic Acid SCHEMBL27964676 | 0.82 | LDHA (0.64) | — | |
| SCHEMBL17364902 | 0.78 | — | — | |
| SCHEMBL1940538 | 0.77 | — | — | |
| SCHEMBL517270 | 0.77 | — | — | |
| SCHEMBL527423 | 0.74 | LDHA (0.44) | — | |
| SCHEMBL165376 | 0.74 | — | — | |
| SCHEMBL28856656 | 0.74 | — | — | |
| SCHEMBL6058674 | 0.74 | — | — | |
| Ammonia Solution, Strong SCHEMBL14935478 | 0.74 | LDHA (0.44) | — |
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 53 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109608412-A | A kind of improved acotiamide hydrochloride hydrate synthetic method | 开封制药(集团)有限公司 | 2019-04-12 | — | — | CN | claimed |
| CN-108033929-A | A kind of synthetic method of gout suppressant Febustat intermediate impurities and its application for synthesizing impurity | 青岛黄海制药有限责任公司 | 2018-05-15 | — | — | CN | claimed |
| US-6218157-B1 | EFFICIENT METHOD BY REACTING A 4-HALOACETOACETIC ACID ESTER WITH PURIFIED ENZYME TO FORM (S)-4-HALO-3-HYDROXYBUTYRIC ACID ESTER | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 2001-04-17 | — | — | US | claimed |
| US-20200308165-A1 | Compounds as Ras Inhibitors and Use Thereof | D. E. SHAW RESEARCH, LLC | 2020-10-01 | — | — | US | disclosed |
| EP-3681499-A1 | COMPOUNDS AS RAS INHIBITORS AND USE THEREOF | D.E. Shaw Research, LLC (US) | 2020-07-22 | — | — | EP | disclosed |
| CN-110437153-A | hepatitis B core protein allosteric modulators | UNIV INDIANA RES & TECH CORP | 2019-11-12 | — | — | CN | disclosed |
| CN-110248934-A | Heteroaryl PAD4 inhibitor | 帕德罗科治疗公司 | 2019-09-17 | — | — | CN | disclosed |
| CN-105705503-B | As the heteroaryl piperidine of fungicide and the malonic ester derivatives of heteroaryl piperazine | 拜耳作物科学股份公司 | 2019-07-09 | — | — | CN | disclosed |
| CN-109983022-A | As the chromans of mGluR2 negativity allosteric modulators, heterochromatic full and dihydroisobenzofuran derivative, composition and application thereof | 默沙东公司 | 2019-07-05 | — | — | CN | disclosed |
| CN-109923111-A | ANTIBIOTIC COMPOUNDS | 迪斯库瓦有限公司 | 2019-06-21 | — | — | CN | disclosed |
| CN-109912594-A | Bicyclic heterocycle as FGFR inhibitor | 因赛特控股公司 | 2019-06-21 | — | — | CN | disclosed |
| US-6307069-B1 | EASILY CLEAVABLE UNDER ACIDIC CONDITIONS; CONTAINING A COPOLYMERIZABLE UNSATURATED GROUP | DAI-ICHI KOGYO SEIYAKU CO., LTD. (JP) | 2001-10-23 | — | — | US | disclosed |
| EP-0990465-A2 | Decomposition type reactive emulsifier and polymer-modifying method using the same | DAI-ICHI KOGYO SEIYAKU CO., LTD. (JP) | 2000-04-05 | — | — | EP | disclosed |
| US-5126335-A | PENICILLINS CONTAINING AN ACRYLAMIDE SIDE CHAIN | BEECHAM GROUP P.L.C. (GB) | 1992-06-30 | — | — | US | disclosed |
| EP-0389178-A2 | Acrylamido-penicillanic-acid derivatives | BEECHAM GROUP PLC (GB) | 1990-09-26 | — | — | EP | disclosed |
| US-4954489-A | ACYLATION | BEECHAM GROUP P.L.C. (GB) | 1990-09-04 | — | — | US | disclosed |
| EP-0337643-A2 | 6-Substituted acrylamido penicillanic acid derivatives, preparation and use | BEECHAM GROUP PLC (GB) | 1989-10-18 | — | — | EP | disclosed |
| US-4710468-A | FROM OPTICALLY ACTIVE SUBSTITUTED HYDROXYBUTYRIC ACID DERIVATIVES WITH OXIDOREDUCTASE | SIGMA-TAU INDUSTRIE PHARMACEUTICHE RIUNITE S.P.A. (IT) | 1987-12-01 | — | — | US | disclosed |
| US-3965168-A | CITRIC ACID INTERMEDIATE | ETHYL CORPORATION (US) | 1976-06-22 | — | — | US | disclosed |
| US-3960941-A | CHEMICAL INTERMEDIATE FOR CITRIC ACID | ETHYL CORPORATION (US) | 1976-06-01 | — | — | US | disclosed |