⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL939538 | 0.97 | CXCR4 (0.35) | — | |
| SCHEMBL19841888 | 0.97 | CXCR4 (0.42) | — | |
| SCHEMBL18898243 | 0.94 | CXCR4 (0.41) | — | |
| SCHEMBL19889810 | 0.92 | ALDH1A1 (0.42) | — | |
| SCHEMBL19840407 | 0.91 | CXCR4 (0.47) | — | |
| SCHEMBL22154777 | 0.91 | CXCR4 (0.39) | — | |
| SCHEMBL7745275 | 0.89 | ALDH1A1 (0.47) | — | |
| SCHEMBL20284982 | 0.88 | ALDH1A1 (0.44) | — | |
| SCHEMBL188415 | 0.87 | — | — | |
| SCHEMBL14789140 | 0.86 | ALDH1A1 (0.50) | — |
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 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023150201-A2 | SODIUM CHANNEL BLOCKING COMPOUNDS, DERIVATIVES THEREOF, AND METHODS OF THEIR USE | LATIGO BIOTHERAPEUTICS, INC. (US) | 2023-08-10 | — | — | WO | disclosed |
| WO-2023090302-A1 | ACTIVE ENERGY RAY-CURABLE COMPOSITION | ＫＪケミカルズ株式会社 | 2023-05-25 | — | — | WO | disclosed |
| EP-4137496-A1 | COMPOUND FOR ADJUSTING ACTIVITY OF NMDA RECEPTOR, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF | Beijing Greatway Pharmaceutical Technology Co., Ltd. (CN) | 2023-02-22 | — | — | EP | disclosed |
| WO-2022140325-A1 | 6-SUBSTITUTED INDOLE COMPOUNDS | GILEAD SCIENCES, INC. (US) | 2022-06-30 | — | — | WO | disclosed |
| EP-3129372-B1 | AZAQUINAZOLINE INHIBITORS OF ATYPICAL PROTEIN KINASE C | CANCER RESEARCH TECH LTD (GB) | 2020-12-16 | — | — | EP | disclosed |
| US-9732080-B2 | Azaindole derivatives as CFTR modulators | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2017-08-15 | — | — | US | disclosed |
| US-9206195-B2 | Dihydrothienopyrimidines | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2015-12-08 | — | — | US | disclosed |
| US-20150336956-A1 | AZAINDOLE DERIVATIVES AS CFTR MODULATORS | VERTEX PHARAMCEUTICALS INCORPORATED | 2015-11-26 | — | — | US | disclosed |
| US-9102672-B2 | Azaindole derivatives as CFTR modulators | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2015-08-11 | — | — | US | disclosed |
| US-8865716-B2 | Dihydropteridinones II | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-10-21 | — | — | US | disclosed |
| US-20090253736-A1 | AZAINDOLE DERIVATIVES AS CFTR MODULATORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2009-10-08 | — | — | US | disclosed |
| WO-2009112845-A1 | AMIDO-THIOPHENE COMPOUNDS AND THEIR USE | THE UNIVERSITY OF EDINBURGH (GB) | 2009-09-17 | — | — | WO | disclosed |
| US-7544700-B2 | Pharmaceutically active sulfonamide derivatives bearing both lipophilic and ionisable moieties as inhibitors of protein JunKinases | LABORATOIRES SERONO SA (CH) | 2009-06-09 | — | — | US | disclosed |
| EP-1250337-B1 | SUBSTITUTED HOMOPIPERIDINYL BENZIMIDAZOLE ANALOGUES AS FUNDIC RELAXANTS | JANSSEN PHARMACEUTICA NV (BE) | 2008-12-03 | — | — | EP | disclosed |
| US-20080255222-A1 | PHARMACEUTICALLY ACTIVE BENZSULFONAMIDE DERIVATIVES AS INHIBITORS OF PROTEIN JUNKINASES | APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) | 2008-10-16 | — | — | US | disclosed |
| US-7417058-B2 | Pharmaceutically active benzsulfonamide derivatives as inhibitors of protein junkinases | LABORATOIRES SERONO S.A. (CH) | 2008-08-26 | — | — | US | disclosed |
| EP-1622879-A1 | PYRIMIDINE COMPOUNDS AND PESTS CONTROLLING COMPOSITION CONTAINING THE SAME | Sumitomo Chemical Company, Limited (JP) | 2006-02-08 | — | — | EP | disclosed |
| CN-1187386-C | Preparation method of conjugated diene and monovinylarene block copolymer | JIANGSU SHENGJIE IND CO LTD (CN) | 2005-02-02 | — | — | CN | disclosed |
| WO-2004099160-A1 | PYRIMIDINE COMPOUNDS AND PESTS CONTROLLING COMPOSITION CONTAINING THE SAME | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2004-11-18 | — | — | WO | disclosed |
| CN-1421471-A | Preparation method of conjugated diene and monovinylarene block copolymer | JIANGSU SHENGJIE INDUSTRY CO L (CN) | 2003-06-04 | — | — | CN | disclosed |