⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16288650 | 0.76 | — | — | |
| SCHEMBL995794 | 0.75 | GRM5 (0.54) | — | |
| SCHEMBL31172969 | 0.75 | GRM5 (0.54) | — | |
| SCHEMBL1026572 | 0.73 | ALDH1A1 (0.48) | — | |
| SCHEMBL16289412 | 0.73 | CHRNB2 (0.32) | — | |
| SCHEMBL1421234 | 0.72 | — | — | |
| SCHEMBL75830 | 0.71 | — | — | |
| SCHEMBL455603 | 0.71 | — | — | |
| SCHEMBL3980794 | 0.71 | — | — | |
| SCHEMBL221465 | 0.71 | — | — |
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 260 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230132298-A1 | OXABOROLE ESTERS AND USES THEREOF | ANACOR PHARMACEUTICALS, LLC | 2023-04-27 | — | — | US | claimed |
| EP-4168409-A1 | VMAT2 INHIBITORS AND METHODS OF USE | Neurocrine Biosciences, Inc. (US) | 2023-04-26 | — | — | EP | claimed |
| US-11578087-B2 | Oxaborole esters and uses thereof | ANACOR PHARMACEUTICALS, INC. (US) | 2023-02-14 | — | — | US | claimed |
| US-20210101916-A1 | OXABOROLE ESTERS AND USES THEREOF | ANACOR PHARMACEUTICALS, INC. | 2021-04-08 | — | — | US | claimed |
| US-20190053492-A1 | SUBSTITUTED PYRIDINE COMPOUNDS AS PESTICIDES | BAYER CROPSCIENCE AG (DE) | 2019-02-21 | — | — | US | claimed |
| EP-3429997-A1 | N-(CYANOBENZYL)-6-(CYCLOPROPYL-CARBONYLAMINO)-4-(PHENYL)-PYRIDINE-2-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS PESTICIDES AND PLANT PROTECTION AGENTS | Bayer CropScience Aktiengesellschaft (DE) | 2019-01-23 | — | — | EP | claimed |
| US-9969716-B2 | Indole derivatives as modulators of methyl modifying enzymes, compositions and uses thereof | CONSTELLATION PHARMACEUTICALS, INC. (US) | 2018-05-15 | — | — | US | claimed |
| EP-2119717-B1 | 8-[3-amino-piperidin-1-yl]-xanthins, their production and utilisation as DPP IV inhibitors | BOEHRINGER INGELHEIM INT (DE) | 2018-01-17 | — | — | EP | claimed |
| WO-2017157885-A1 | N-(CYANOBENZYL)-6-(CYCLOPROPYL-CARBONYLAMINO)-4-(PHENYL)-PYRIDINE-2-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS PESTICIDES AND PLANT PROTECTION AGENTS | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2017-09-21 | — | — | WO | claimed |
| US-20160185757-A1 | INDOLE DERIVATIVES AS MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF | CONSTELLATION PHARMACEUTICALS, INC. (US) | 2016-06-30 | — | — | US | claimed |
| US-7645763-B2 | dipeptidylpeptidase-IV inhibitors; antidiabetic agents, antiarthritic agents, obesity, allograft transplantation, and osteoporosis caused by calcitonin; 1,3-disubstituted-7-(2-butyn-1-yl)-8-(3-aminopiperidin-1-yl)-xanthine compounds | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2010-01-12 | — | — | US | claimed |
| EP-2119717-A1 | 8-[3-amino-piperidin-1-yl]-xanthins, their production and utilisation as DPP IV inhibitors | Boehringer Ingelheim International GmbH (DE) | 2009-11-18 | — | — | EP | claimed |
| US-20090137801-A1 | 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-05-28 | — | — | US | claimed |
| EP-1758905-B1 | 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINE, THE PRODUCTION THEREOF AND THE USE IN THE FORM OF A DDP-IV INHIBITOR | BOEHRINGER INGELHEIM INT (DE) | 2009-04-29 | — | — | EP | claimed |
| US-7501426-B2 | 8-[3-amino-piperidin-1-yl]-xanthines, their preparation and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-03-10 | — | — | US | claimed |
| EP-1720875-B1 | 8- [3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PRODUCTION THEREOF, AND THE USE OF THE SAME AS MEDICAMENTS | BOEHRINGER INGELHEIM INT (DE) | 2008-12-10 | — | — | EP | claimed |
| EP-1758905-A1 | 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINE, THE PRODUCTION THEREOF AND THE USE IN THE FORM OF A DDP-IV INHIBITOR | Boehringer Ingelheim International GmbH (DE) | 2007-03-07 | — | — | EP | claimed |
| US-20050234108-A1 | 8-[3-amino-piperidin-1-yl]-xanthines, their preparation and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2005-10-20 | — | — | US | claimed |
| WO-2005085246-A1 | 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINE, THE PRODUCTION THEREOF AND THE USE IN THE FORM OF A DPP INHIBITOR | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2005-09-15 | — | — | WO | claimed |
| US-20050187227-A1 | 8-[3-Amino-piperidin-1-yl]-xanthines, their preparation and their use as pharmaceutical composition | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2005-08-25 | — | — | US | claimed |