⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11516730 | 1.00 | — | — | |
| SCHEMBL302739 | 1.00 | — | — | |
| SCHEMBL524702 | 0.92 | — | — | |
| SCHEMBL939613 | 0.81 | — | — | |
| SCHEMBL942278 | 0.81 | — | — | |
| SCHEMBL37819 | 0.81 | — | — | |
| SCHEMBL4356389 | 0.81 | — | — | |
| SCHEMBL524952 | 0.77 | — | — | |
| SCHEMBL19985099 | 0.69 | ALDH1A1 (0.35) | — | |
| SCHEMBL20886323 | 0.67 | — | — |
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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230348438-A1 | PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF | JAPAN TOBACCO INC. (JP) | 2023-11-02 | — | — | US | disclosed |
| CN-112110944-B | Compound and preparation method and application thereof | 南京谷睿生物科技有限公司 | 2022-02-11 | — | — | CN | disclosed |
| WO-2020253352-A1 | COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF | 南京谷睿生物科技有限公司 | 2020-12-24 | — | — | WO | disclosed |
| CN-112110944-A | Compound and preparation method and application thereof | 南京谷睿生物科技有限公司 | 2020-12-22 | — | — | CN | disclosed |
| US-20200317644-A1 | PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF | JAPAN TOBACCO INC (JP) | 2020-10-08 | — | — | US | disclosed |
| EP-3524599-A1 | PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF | Japan Tobacco Inc. (JP) | 2019-08-14 | — | — | EP | disclosed |
| US-20180346449-A1 | PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF | JAPAN TOBACCO INC (JP) | 2018-12-06 | — | — | US | disclosed |
| EP-2698375-B1 | TGR5 modulators and method of use thereof | INTERCEPT PHARMACEUTICALS INC (US) | 2018-02-21 | — | — | EP | disclosed |
| US-20180016295-A1 | TGR5 Modulators and Methods of Use Thereof | INTERCEPT PHARMACEUTICALS INC (US) | 2018-01-18 | — | — | US | disclosed |
| EP-3199533-A1 | PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF | Japan Tobacco Inc. (JP) | 2017-08-02 | — | — | EP | disclosed |
| US-8410083-B2 | 23-substituted bile acids as TGR5 modulators and methods of use thereof | INTERCEPT PHARMACEUTICALS, INC. (US) | 2013-04-02 | — | — | US | disclosed |
| US-20120115832-A1 | TGR5 Modulators and Methods of Use Thereof | INTERCEPT PHARMACEUTICALS, INC. (US) | 2012-05-10 | — | — | US | disclosed |
| US-8114862-B2 | TGR5 modulators and methods of use thereof | INTERCEPT PHARMACEUTICALS, INC. (US) | 2012-02-14 | — | — | US | disclosed |
| EP-2376519-A1 | TGR5 MODULATORS AND METHOD OF USE THEREOF | Intercept Pharmaceuticals, Inc. (US) | 2011-10-19 | — | — | EP | disclosed |
| US-20110003782-A1 | 23-Substituted Bile Acids as TGR5 Modulators and Methods of Use Thereof | INTERCEPT PHARMACEUTICALS, INC. | 2011-01-06 | — | — | US | disclosed |
| US-20100152151-A1 | TGR5 MODULATORS AND METHODS OF USE THEROF | INTERCEPT PHARMACEUTICALS, INC. (US) | 2010-06-17 | — | — | US | disclosed |
| WO-2010059853-A1 | TGR5 MODULATORS AND METHOD OF USE THEREOF | INTERCEPT PHARMACEUTICALS, INC. (US) | 2010-05-27 | — | — | WO | disclosed |
| EP-2112995-A2 | 23-SUBSTITUTED BILE ACIDS AS TGR5 MODULATORS AND METHODS OF USE THEREOF | Intercept Pharmaceuticals, Inc. (US) | 2009-11-04 | — | — | EP | disclosed |
| WO-2008091540-A2 | 23-SUBSTITUTED BILE ACIDS AS TGR5 MODULATORS AND METHODS OF USE THEREOF | INTERCEPT PHARMACEUTICALS, INC. (US) | 2008-07-31 | — | — | WO | disclosed |
| EP-1947108-A1 | TGR5 modulators and methods of use thereof | Intercept Pharmaceuticals, Inc. (US) | 2008-07-23 | — | — | EP | disclosed |