⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1661387 | 1.00 | — | — | |
| SCHEMBL3964085 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL1467735 | 0.98 | ALDH1A1 (0.59) | — | |
| Hydrochloric Acid SCHEMBL1180055 | 0.98 | ALDH1A1 (0.59) | — | |
| Hydrochloric Acid SCHEMBL1179782 | 0.98 | ALDH1A1 (0.59) | — | |
| SCHEMBL689749 | 0.86 | ALDH1A1 (0.62) | — | |
| SCHEMBL2637184 | 0.86 | ALDH1A1 (0.62) | — | |
| SCHEMBL805212 | 0.86 | ALDH1A1 (0.62) | — | |
| SCHEMBL20276631 | 0.85 | ALDH1A1 (0.46) | — | |
| SCHEMBL46774 | 0.85 | ALDH1A1 (0.55) | — |
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 491 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115246787-A | Meta-disubstituted compound, preparation thereof and application thereof in preventing and treating mosquito and plant pathogenic bacteria | 吉林省达凯生物医药有限公司 | 2022-10-28 | — | — | CN | claimed |
| CN-112745482-A | Water-based epoxy resin curing agent and preparation method thereof | 上海瀚岱化学有限公司 | 2021-05-04 | — | — | CN | claimed |
| EP-3083556-B1 | LIPIDS AND LIPID COMPOSITIONS FOR THE DELIVERY OF ACTIVE AGENTS | NOVARTIS AG (CH) | 2019-12-25 | — | — | EP | claimed |
| CN-109444294-A | A kind of efficient liquid-phase chromatography method separating Linezolid and its chiral isomer | 南京盖斯夫医药科技有限公司 | 2019-03-08 | — | — | CN | claimed |
| EP-2435411-B1 | 2,4-DIAMINOPYRIMIDINES FOR THE TREATMENT OF DISEASES CHARACTERISED BY EXCESSIVE OR ABNORMAL CELL PROLIFERATION | BOEHRINGER INGELHEIM INT (DE) | 2014-10-29 | — | — | EP | claimed |
| EP-2516009-B1 | SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES | NOVARTIS AG (CH) | 2014-09-24 | — | — | EP | claimed |
| US-8410126-B2 | Pyrimidine inhibitors of PKTK2 | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2013-04-02 | — | — | US | claimed |
| EP-2531487-A1 | ARYL BENZYLAMINE COMPOUNDS | Novartis AG (CH) | 2012-12-12 | — | — | EP | claimed |
| US-20120302547-A1 | NOVEL MCH RECEPTOR ANTAGONISTS | ELI LILLY AND COMPANY (US) | 2012-11-29 | — | — | US | claimed |
| US-8067419-B2 | N-[(S)-1-benzyl-2-(4-benzyl-piperazin-1-yl)-2-oxo-ethyl]-N-(4-pentyl-benzyl)-3-(4-trifluoromethyl-phenyl)-acrylamide, for example; antiprotozoa agents | ACTELION PHARMACEUTICALS LTD. (CH) | 2011-11-29 | — | — | US | claimed |
| WO-2006137019-A1 | NOVEL THIOPHENE DERIVATIVES | ACTELION PHARMACEUTICALS LTD (CH) | 2006-12-28 | — | — | WO | claimed |
| WO-2006110884-A2 | 2, 6-DI (HETERO) ARYL -4-AMIDO-PYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS | NEUROCRINE BIOSCIENCES, INC. (US) | 2006-10-19 | — | — | WO | claimed |
| WO-2006100631-A1 | HYDROGENATED BENZO (C) THIOPHENE DERIVATIVES AS IMMUNOMODULATORS | ACTELION PHARMACEUTICALS LTD (CH) | 2006-09-28 | — | — | WO | claimed |
| WO-2006100633-A1 | NOVEL THIOPHENE DERIVATIVES AS SPHINGOSINE-l-PHOSPHATE-1 RECEPTOR AGONISTS | ACTELION PHARMACEUTICALS LTD (CH) | 2006-09-28 | — | — | WO | claimed |
| WO-2006100635-A2 | NOVEL THIOPHENE DERIVATIVES AS SPHINGOSINE-1-PHOSPHATE-1 RECEPTOR AGONISTS | ACTELION PHARMACEUTICALS LTD (CH) | 2006-09-28 | — | — | WO | claimed |
| WO-2005121145-A2 | OCTAHYDRO-PYRROLO[3,4-C] DERIVATIVES AND THEIR USE AS ANTIVIRAL COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2005-12-22 | — | — | WO | claimed |
| EP-1575947-A1 | 2-OXOPYRIDIN-3-YL THIA(DI)AZOLE DERIVATIVES FOR USE IN THE TREATMENT OF CELL PROLIFERATION AND APOPTOSIS RELATED DISEASES | Amgen Inc. (US) | 2005-09-21 | — | — | EP | claimed |
| WO-2004060890-A1 | 2-OXOPYRIDIN-3-YL THIA (DI) AZOLE DERIVATES FOR USE IN THE TREATMENT OF CELL PROLIFERATION AND APOPTOSIS RELATED DISEASES | AMGEN INC. (US) | 2004-07-22 | — | — | WO | claimed |
| EP-1003740-A2 | PYRROLIDINE-3-CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS ENDOTHELIN ANTAGOISTS | Abbott Laboratories (US) | 2000-05-31 | — | — | EP | claimed |
| WO-1999006397-A2 | PYRROLIDINE-3-CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS ENDOTHELIN ANTAGONISTS | ABBOTT LABORATORIES (US) | 1999-02-11 | — | — | WO | claimed |