⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7351 | 0.78 | — | — | |
| SCHEMBL29573356 | 0.78 | — | — | |
| SCHEMBL1335946 | 0.77 | ALDH1A1 (0.54) | — | |
| SCHEMBL20605197 | 0.77 | L3MBTL1 (0.50) | — | |
| Bromide SCHEMBL20984641 | 0.76 | L3MBTL1 (0.50) | — | |
| Hydrochloric Acid SCHEMBL30267828 | 0.76 | L3MBTL1 (0.50) | — | |
| Hydrochloric Acid SCHEMBL597675 | 0.76 | L3MBTL1 (0.50) | — | |
| SCHEMBL28538505 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL838681 | 0.74 | L3MBTL1 (0.48) | — | |
| Hydrochloric Acid SCHEMBL6780328 | 0.74 | L3MBTL1 (0.48) | — |
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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107522609-A | A kind of novel method for synthesizing of 2,4,5 trifluoro benzene acetic acid | 河南师范大学 | 2017-12-29 | — | — | CN | claimed |
| CN-103601613-B | Preparation method of 3, 4, 5-trifluoro bromobenzene | SHANGYU LINJIANG CHEMICAL CO LTD | 2015-07-08 | — | — | CN | claimed |
| CN-103601613-A | Preparation method of 3, 4, 5-trifluoro bromobenzene | SHANGYU LINJIANG CHEMICAL CO LTD | 2014-02-26 | — | — | CN | claimed |
| WO-1993019026-A1 | PREPARATION OF 3-HALO-HALOBENZENES AND 1-HALO-3,5-DIHALOBENZENES | MALLINCKRODT SPECIALTY CHEMICALS COMPANY (US) | 1993-09-30 | — | — | WO | claimed |
| US-5157169-A | Preparation of 3-halo-halobenzenes and 1-halo-3,5-dihalobenzenes | MALLINCKRODT SPECIALTY CHEMICALS COMPANY (US) | 1992-10-20 | — | — | US | claimed |
| US-20230183214-A1 | IL4I1 INHIBITORS AND METHODS OF USE | MERCK SHARP & DOHME LLC | 2023-06-15 | — | — | US | disclosed |
| CN-108383718-A | The preparation method of one kind 2,4,5- trifluoro benzene acetic acids | 江苏八巨药业有限公司 | 2018-08-10 | — | — | CN | disclosed |
| CN-107522609-A | A kind of novel method for synthesizing of 2,4,5 trifluoro benzene acetic acid | 河南师范大学 | 2017-12-29 | — | — | CN | disclosed |
| CN-107056631-A | A kind of 2 alkenyl amino benzenes compounds preparation methods reacted based on Heck | 六盘水师范学院 | 2017-08-18 | — | — | CN | disclosed |
| CN-105175284-B | Amides compound, preparation method and its medical usage | 中国药科大学 | 2017-06-16 | — | — | CN | disclosed |
| CN-105439810-B | Preparation method of 3,4,5-trifluorobromobenzene | 浙江永太科技股份有限公司 | 2017-04-12 | — | — | CN | disclosed |
| CN-104610016-B | A kind of preparation method of 3,4,5-trifluorobromobenzene compound | 浙江永太科技股份有限公司 | 2016-06-22 | — | — | CN | disclosed |
| CN-103601613-A | Preparation method of 3, 4, 5-trifluoro bromobenzene | SHANGYU LINJIANG CHEMICAL CO LTD | 2014-02-26 | — | — | CN | disclosed |
| CN-103408492-A | Preparation method of 6-substitute-5,6-dihydro phenanthridine derivative | UNIV CHINA PHARMA | 2013-11-27 | — | — | CN | disclosed |
| CN-103342705-A | Method for synthesizing pyrrole [1,2-a ] quinoxaline derivative | NANJING UNIVERSITY OF TECHNOLOGY | 2013-10-09 | — | — | CN | disclosed |
| CN-103333171-A | Synthetic method of pyrrole [1,2-a ] quinoxaline derivative | NANJING UNIVERSITY OF TECHNOLOGY | 2013-10-02 | — | — | CN | disclosed |
| CN-102060779-B | Method for preparing 2-aminobenzimidazole derivative | UNIV TSINGHUA | 2012-07-25 | — | — | CN | disclosed |
| CN-101522689-B | Pyridooxazeprilone receptor modulators | ORGANON NV | 2012-01-11 | — | — | CN | disclosed |
| CN-102060779-A | Method for preparing 2-aminobenzimidazole derivative | UNIV TSINGHUA | 2011-05-18 | — | — | CN | disclosed |
| CN-101522689-A | Pyridooxaza progesterone receptor modulators | ORGANON NV (NL) | 2009-09-02 | — | — | CN | disclosed |