⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29572769 | 0.97 | — | — | |
| SCHEMBL153356 | 0.97 | — | — | |
| Water SCHEMBL28144539 | 0.94 | — | — | |
| Fluoride SCHEMBL18979129 | 0.94 | HTT (0.43) | — | |
| Fluoride SCHEMBL31239586 | 0.94 | HTT (0.43) | — | |
| Hydrogen Sulfide SCHEMBL28144546 | 0.94 | — | — | |
| Ammonia Solution, Strong SCHEMBL2165678 | 0.94 | — | — | |
| Potassium Ion SCHEMBL11777963 | 0.91 | HTT (0.47) | — | |
| Nitrogen SCHEMBL27817436 | 0.91 | HTT (0.42) | — | |
| Ethyne SCHEMBL27805472 | 0.91 | HTT (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 101 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112409212-B | Preparation method of citalopram diol intermediate hydrobromide, citalopram diol intermediate hydrobromide and citalopram | 四川新迪医药化工有限公司 | 2023-03-14 | — | — | CN | claimed |
| CN-112409212-A | Preparation method of citalopram diol intermediate hydrobromide, citalopram diol intermediate hydrobromide and citalopram | 四川新迪医药化工有限公司 | 2021-02-26 | — | — | CN | claimed |
| CN-107011376-A | A kind of preparation method of sensitizing agent HF20 tpip for visible and infrared emission lanthanide series | 常州佳德医药科技有限公司 | 2017-08-04 | — | — | CN | claimed |
| CN-102503794-B | Method for preparing fluorine-containing substituted phenyl ketone | ASYMCHEM LAB TIANJIN CO LTD | 2014-01-01 | — | — | CN | claimed |
| CN-103044305-A | Preparation method of ezetimibe intermediate | SHANGSHAI SHYNDEC PHARMACEUTICAL CO LTD | 2013-04-17 | — | — | CN | claimed |
| CN-102675152-A | Preparation method of intermediate glycol of antidepressant citalopram | FUJIAN MATTER STRUCTURE | 2012-09-19 | — | — | CN | claimed |
| CN-102503794-A | Method for preparing fluorine-containing substituted phenyl ketone | ASYMCHEM LAB TIANJIN CO LTD | 2012-06-20 | — | — | CN | claimed |
| CN-102485726-A | Method for preparing 1-R-1'-spiro-(piperidine-4,4'-quinoline)-2'(3'-hydrogen)ketone | WUXI APPTEC CO LTD | 2012-06-06 | — | — | CN | claimed |
| US-5623087-A | Method for preparation of optically active diarylalanines | NDSU-RESEARCH FOUNDATION (US) | 1997-04-22 | — | — | US | claimed |
| WO-1996027435-A1 | PROCESS FOR FORMING A BROMOMAGNESIUM TETRAKIS (FLUOROPHENYL) BORATE | AKZO NOBEL N.V. (NL) | 1996-09-12 | — | — | WO | claimed |
| US-5473036-A | Process for forming a bromomagnesium tetrakis (fluorophenyl) borate | AKZO NOBEL N.V. (NL) | 1995-12-05 | — | — | US | claimed |
| CN-116789726-A | Steroid compound, preparation method and application thereof | 珂阑(上海)医药科技有限公司 | 2023-09-22 | — | — | CN | disclosed |
| CN-112409212-B | Preparation method of citalopram diol intermediate hydrobromide, citalopram diol intermediate hydrobromide and citalopram | 四川新迪医药化工有限公司 | 2023-03-14 | — | — | CN | disclosed |
| CN-110746371-B | Intermediate for preparing aprepitant and preparation method and application thereof | 山东鲁抗医药股份有限公司 | 2022-07-15 | — | — | CN | disclosed |
| CN-113784953-A | Heterocyclyl (phenyl) carbinol compounds useful for treating hyperglycemia | 阿托基公司 | 2021-12-10 | — | — | CN | disclosed |
| WO-1996027435-A1 | PROCESS FOR FORMING A BROMOMAGNESIUM TETRAKIS (FLUOROPHENYL) BORATE | AKZO NOBEL N.V. (NL) | 1996-09-12 | — | — | WO | disclosed |
| WO-1996027435-A1 | PROCESS FOR FORMING A BROMOMAGNESIUM TETRAKIS (FLUOROPHENYL) BORATE | AKZO NOBEL N.V. (NL) | 1996-09-12 | — | — | WO | disclosed |
| US-5473036-A | Process for forming a bromomagnesium tetrakis (fluorophenyl) borate | AKZO NOBEL N.V. (NL) | 1995-12-05 | — | — | US | disclosed |
| US-5473036-A | Process for forming a bromomagnesium tetrakis (fluorophenyl) borate | AKZO NOBEL N.V. (NL) | 1995-12-05 | — | — | US | disclosed |
| CN-1107476-A | Heterocyclic compounds, their production and use | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1995-08-30 | — | — | CN | disclosed |