Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Bromoacetic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
⚠ 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 | |
|---|---|---|---|---|
| Bromoacetic Acid SCHEMBL6914854 | 0.92 | CA4 (0.47) | — | |
| Bromoacetic Acid SCHEMBL11405488 | 0.92 | CA4 (0.47) | — | |
| Bromoacetic Acid SCHEMBL2852922 | 0.92 | — | — | |
| Bromoacetic Acid SCHEMBL6917043 | 0.92 | — | — | |
| Bromoacetic Acid SCHEMBL1000560 | 0.92 | — | — | |
| Bromoacetic Acid SCHEMBL6916707 | 0.92 | CA4 (0.47) | — | |
| Bromoacetic Acid SCHEMBL6916750 | 0.92 | CA4 (0.47) | — | |
| Bromoacetic Acid SCHEMBL789120 | 0.92 | — | — | |
| Bromoacetic Acid SCHEMBL6914538 | 0.92 | — | — | |
| Bromoacetic Acid SCHEMBL4372765 | 0.92 | CA4 (0.47) | — |
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 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113956262-B | Synthesis method of tetraazacycloalkane compound and intermediate thereof | 苏州百灵威超精细材料有限公司 | 2023-03-07 | — | — | CN | claimed |
| CN-113956262-A | Synthesis method of tetraazacycloalkane compound and intermediate thereof | 苏州百灵威超精细材料有限公司 | 2022-01-21 | — | — | CN | claimed |
| WO-2020202183-A1 | THE PROCESS FOR THE PREPARATION OF UPADACITINIB AND ITS INTERMEDIATES | MYLAN LABORATORIES LIMITED (IN) | 2020-10-08 | — | — | WO | claimed |
| CN-113956262-B | Synthesis method of tetraazacycloalkane compound and intermediate thereof | 苏州百灵威超精细材料有限公司 | 2023-03-07 | — | — | CN | disclosed |
| CN-113956262-A | Synthesis method of tetraazacycloalkane compound and intermediate thereof | 苏州百灵威超精细材料有限公司 | 2022-01-21 | — | — | CN | disclosed |
| WO-2020202183-A1 | THE PROCESS FOR THE PREPARATION OF UPADACITINIB AND ITS INTERMEDIATES | MYLAN LABORATORIES LIMITED (IN) | 2020-10-08 | — | — | WO | disclosed |
| CN-105801419-B | Synthetic method of treprostinil diethanolamine and novel intermediate | 台湾永光化学工业股份有限公司 | 2018-03-20 | — | — | CN | disclosed |
| US-9505704-B2 | Intermediate for synthesizing treprostinil diethanolamine and method for preparing the same | EVERLIGHT CHEMICAL INDUSTRIAL CORPORATION (TW) | 2016-11-29 | — | — | US | disclosed |
| CN-105801419-A | Synthetic method of treprostinil diethanolamine and novel intermediate | 台湾永光化学工业股份有限公司 | 2016-07-27 | — | — | CN | disclosed |
| US-20160152548-A1 | NOVEL INTERMEDIATE FOR SYNTHESIZING TREPROSTINIL DIETHANOLAMINE AND METHOD FOR PREPARING THE SAME | EVERLIGHT CHEMICAL INDUSTRIAL CORPORATION (TW) | 2016-06-02 | — | — | US | disclosed |
| EP-1706415-B1 | LIPID- DERIVATIZED BISPHOSPHONIC ACID | MCS MICRO CARRIER SYSTEMS GMBH (DE) | 2011-10-05 | — | — | EP | disclosed |
| EP-0299795-B1 | AMINOPOLYCARBOXYLIC ACIDS AND DERIVATIVES THEREOF | NYCOMED AS (NO) | 1992-03-18 | — | — | EP | disclosed |
| EP-0466200-A1 | Aminocarboxylic acids and derivatives thereof | NYCOMED IMAGING AS (NO) | 1992-01-15 | — | — | EP | disclosed |
| WO-1991010669-A1 | CHELATING COMPOUNDS | COCKBAIN, JULIAN, RODERICK, MICHAELSON (GB) | 1991-07-25 | — | — | WO | disclosed |
| EP-0396617-A1 | PARAMAGNETIC COMPOUNDS. | NYCOMED AS (NO) | 1990-11-14 | — | — | EP | disclosed |
| WO-1989006979-A1 | PARAMAGNETIC COMPOUNDS | COCKBAIN, JULIAN, RODERICK, MICHAELSON (GB) | 1989-08-10 | — | — | WO | disclosed |
| EP-0326226-A1 | Paramagnetic compounds | NYCOMED AS (NO) | 1989-08-02 | — | — | EP | disclosed |
| WO-1989000557-A1 | AMINOPOLYCARBOXYLIC ACIDS AND DERIVATIVES THEREOF | COCKBAIN, JULIAN, RODERICK, MICHAELSON (GB) | 1989-01-26 | — | — | WO | disclosed |
| EP-0255534-A1 | BINDING ASSAY AND ASSAY REAGENT. | DAVIDSON ROBERT STEPHEN | 1988-02-10 | — | — | EP | disclosed |
| WO-1987004523-A1 | BINDING ASSAY AND ASSAY REAGENT | DAVIDSON ROBERT STEPHEN | 1987-07-30 | — | — | WO | disclosed |