⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29365208 | 1.00 | — | — | |
| SCHEMBL733560 | 0.78 | — | — | |
| SCHEMBL9341513 | 0.76 | — | — | |
| SCHEMBL6734902 | 0.74 | LMNA (0.35) | — | |
| SCHEMBL1445878 | 0.72 | — | — | |
| SCHEMBL9987592 | 0.71 | — | — | |
| SCHEMBL29361912 | 0.71 | — | — | |
| SCHEMBL1827509 | 0.70 | CA3 (0.42) | — | |
| SCHEMBL29766167 | 0.70 | ALDH1A1 (0.42) | — | |
| SCHEMBL362051 | 0.70 | ALDH1A1 (0.42) | — |
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 55 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113979853-A | Preparation method of (S) -3-hydroxy-4- (2,4, 5-trifluorophenyl) butyric acid | 上海科利生物医药有限公司 | 2022-01-28 | — | — | CN | claimed |
| CN-113173846-A | Preparation method of 2,4, 5-trifluorophenylacetic acid | 上海立科化学科技有限公司 | 2021-07-27 | — | — | CN | claimed |
| EP-2647624-B1 | INTERMEDIATES OF SITAGLIPTIN AND PREPARATION PROCESS THEREOF | ZHEJIANG HISOAR PHARMACEUTICAL CO LTD (CN) | 2016-10-12 | — | — | EP | claimed |
| CN-104387259-B | One is prepared the method for 2,4,5-trifluoro benzene acetic acid | QUZHOU UNIVERSITY (CN) | 2016-05-04 | — | — | CN | claimed |
| US-9187419-B2 | Intermediates of sitagliptin and preparation process thereof | ZHEJIANG HISOAR PHARMACEUTICAL CO., LTD. (CN) | 2015-11-17 | — | — | US | claimed |
| CN-104387259-A | Method for preparing 2,4,5-trifluorophenylacetic acid | UNIV QUZHOU | 2015-03-04 | — | — | CN | claimed |
| CN-102199102-B | Sitagliptin intermediate and preparation method and application thereof | ZHEJIANG JIUZHOU PHARM CO LTD | 2014-04-02 | — | — | CN | claimed |
| US-20130281695-A1 | INTERMEDIATES OF SITAGLIPTIN AND PREPARATION PROCESS THEREOF | ZHEJIANG HISOAR PHARMACEUTICAL CO., LTD. (CN) | 2013-10-24 | — | — | US | claimed |
| EP-2647624-A1 | INTERMEDIATES OF SITAGLIPTIN AND PREPARATION PROCESS THEREOF | Zhejiang Hisoar Pharmaceutical Co., Ltd (CN) | 2013-10-09 | — | — | EP | claimed |
| CN-102811997-A | Sitagliptin intermediate compounds, preparation methods and uses thereof | ZHEJIANG JIUZHOU PHARM CO LTD | 2012-12-05 | — | — | CN | claimed |
| JP-58018326-A | — | — | None | — | — | JP | disclosed |
| CN-116694697-A | Preparation method of sitagliptin phosphate monohydrate | 安庆朗坤药业有限公司 | 2023-09-05 | — | — | CN | disclosed |
| CN-115246762-A | Preparation method of 2,4,5-trifluorophenylacetic acid | 上海朴颐化学科技有限公司 | 2022-10-28 | — | — | CN | disclosed |
| CN-114149460-A | Preparation method of 3,4, 5-trifluoro-benzene boric acid | 阜新睿光氟化学有限公司 | 2022-03-08 | — | — | CN | disclosed |
| CN-113979853-A | Preparation method of (S) -3-hydroxy-4- (2,4, 5-trifluorophenyl) butyric acid | 上海科利生物医药有限公司 | 2022-01-28 | — | — | CN | disclosed |
| EP-2415754-A2 | IMPROVED METHOD FOR MANUFACTURING DIPEPTIDYL PEPTIDASE-IV INHIBITOR AND INTERMEDIATE | Dong-A Pharmaceutical Co., Ltd. (KR) | 2012-02-08 | — | — | EP | disclosed |
| EP-2415753-A2 | IMPROVED METHOD FOR PREPARING DIPEPTIDYL PEPTIDASE-IV INHIBITOR AND INTERMEDIATE | Dong-A Pharmaceutical Co., Ltd. (KR) | 2012-02-08 | — | — | EP | disclosed |
| US-20120016126-A1 | METHOD FOR MANUFACTURING DIPEPTIDYL PEPTIDASE-IV INHIBITOR AND INTERMEDIATE | DONG-A PHARMACEUTICAL. CO., LTD (KR) | 2012-01-19 | — | — | US | disclosed |
| US-20120016125-A1 | METHOD FOR PREPARING DIPEPTIDYL PEPTIDASE-IV INHIBITOR AND INTERMEDIATE | DONG-A PHARMACEUTICAL. CO., LTD (KR) | 2012-01-19 | — | — | US | disclosed |
| JP-S5818326-A | 2,4,5-TRIFLUORO-(4'-(TRANS-4\"-ALKYLCYCLOHEXYL)-CYCLOHEXEN-1'- YL)BENZENE | CHISSO CORP | 1983-02-02 | — | — | JP | disclosed |