⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL528874 | 0.97 | ADH1A (0.54) | — | |
| SCHEMBL18570188 | 0.97 | ADH1A (0.54) | — | |
| SCHEMBL27719489 | 0.97 | — | — | |
| SCHEMBL27845046 | 0.89 | ADH1A (0.46) | — | |
| SCHEMBL2453051 | 0.88 | — | — | |
| SCHEMBL28057896 | 0.77 | ADH1A (0.33) | — | |
| SCHEMBL28040278 | 0.75 | APLNR (0.38) | — | |
| SCHEMBL28005038 | 0.75 | APLNR (0.38) | — | |
| Hydrochloric Acid SCHEMBL28040748 | 0.74 | APLNR (0.37) | — | |
| SCHEMBL27756740 | 0.74 | NCF1 (0.37) | — |
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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3219709-A1 | INTERMEDIATE COMPOUND OF MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | Vertex Pharmaceuticals Incorporated (US) | 2017-09-20 | — | — | EP | disclosed |
| CN-102491970-B | Synthetic method for irbesartan | HEFEI UNIVERSITY OF TECHNOLOGY (CN) | 2014-10-08 | — | — | CN | disclosed |
| CN-101977889-B | Method for producing fluorine-containing acylacetic acid derivative, method for producing fluorine-containing pyrazolecarboxylic acid ester derivative, and method for producing fluorine-containing pyrazolecarboxylic acid derivative | MITSUI CHEMICALS AGRO INC | 2013-12-04 | — | — | CN | disclosed |
| CN-102491970-A | Synthetic method for irbesartan | UNIV HEFEI TECHNOLOGY | 2012-06-13 | — | — | CN | disclosed |
| CN-101627015-B | Fluorine-containing pyrazolecarbonitrile derivative and method for producing the same, and fluorine-containing pyrazolecarboxylic acid derivative obtained by using the fluorine-containing pyrazolecarb and preparation method thereof | MITSUI CHEMICALS INC | 2012-02-29 | — | — | CN | disclosed |
| CN-101977889-A | Method for producing fluorine-containing acylacetic acid derivative, method for producing fluorine-containing pyrazolecarboxylic acid ester derivative, and method for producing fluorine-containing pyrazolecarboxylic acid derivative | MITSUI CHEMICALS AGRO INC | 2011-02-16 | — | — | CN | disclosed |
| CN-101627015-A | Fluorine-containing pyrazolecarbonitrile derivative and method for producing the same, and fluorine-containing pyrazolecarboxylic acid derivative obtained by using the fluorine-containing pyrazolecarb | MITSUI CHEMICALS INC | 2010-01-13 | — | — | CN | disclosed |
| EP-1791831-A4 | METHODS OF TREATING DISEASES AND DISORDERS BY TARGETING MULTIPLE KINASES | SIGNAL PHARM LLC (US) | 2009-07-08 | — | — | EP | disclosed |
| EP-2065383-A1 | Indazole compounds and methods of use thereof as protein kinase inhibitors | Signal Pharmaceuticals, Inc. (US) | 2009-06-03 | — | — | EP | disclosed |
| US-20090099178-A1 | INDAZOLE COMPOUNDS AND METHODS OF USE THEREOF | BHAGWAT SHRIPAD S | 2009-04-16 | — | — | US | disclosed |
| EP-1791831-A2 | METHODS OF TREATING DISEASES AND DISORDERS BY TARGETING MULTIPLE KINASES | Signal Pharmaceuticals LLC (US) | 2007-06-06 | — | — | EP | disclosed |
| EP-1692128-A1 | INDAZOLE COMPOUNDS AND METHODS OF USE THEREOF AS PROTEIN KINASE INHIBITORS | Signal Pharmaceuticals LLC (US) | 2006-08-23 | — | — | EP | disclosed |
| US-20060004043-A1 | Indazole compounds and methods of use thereof | BHAGWAT SHRIPAD S | 2006-01-05 | — | — | US | disclosed |
| WO-2005051942-A1 | INDAZOLE COMPOUNDS AND METHODS OF USE THEREOF AS PROTEIN KINASE INHIBITORS | SIGNAL PHARMACEUTICALS, LLC (US) | 2005-06-09 | — | — | WO | disclosed |
| WO-2005051308-A2 | METHODS OF TREATING DISEASES AND DISORDERS BY TARGETING MULTIPLE KINASES | SIGNAL PHARMACEUTICALS, LLC (US) | 2005-06-09 | — | — | WO | disclosed |
| US-20050107386-A1 | Methods of treating diseases and disorders by targeting multiple kinases | NARLA RAMA KRISHNA (US) | 2005-05-19 | — | — | US | disclosed |
| EP-1339668-A2 | BISUBSTITUTED CARBOCYCLIC CYCLOPHILIN BINDING COMPOUNDS AND THEIRUS | GUILFORD PHARMACEUTICALS INC. (US) | 2003-09-03 | — | — | EP | disclosed |
| WO-2002044126-A2 | BISUBSTITUTED CARBOCYCLIC CYCLOPHILIN BINDING COMPOUNDS AND THEIRUS | GUILFORD PHARMACEUTICALS INC. (US) | 2002-06-06 | — | — | WO | disclosed |
| EP-0947510-B1 | Process for the preparation of 1,3,4-trisubstituted 1,2,4-triazolium salts | BASF AG (DE) | 2002-02-13 | — | — | EP | disclosed |
| EP-0947510-A1 | Process for the preparation of 1,3,4-trisubstituted 1,2,4-triazolium salts | BASF AKTIENGESELLSCHAFT (DE) | 1999-10-06 | — | — | EP | disclosed |