⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29794327 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL8845303 | 0.98 | ALDH1A1 (0.53) | — | |
| Hydrochloric Acid SCHEMBL4432024 | 0.98 | ALDH1A1 (0.53) | — | |
| SCHEMBL15937427 | 0.85 | KDM4E (0.51) | — | |
| SCHEMBL3270028 | 0.83 | CYP11B2 (0.56) | — | |
| SCHEMBL27303096 | 0.81 | GRM5 (0.46) | — | |
| SCHEMBL27303097 | 0.80 | ALDH1A1 (0.40) | — | |
| SCHEMBL4376200 | 0.78 | CYP19A1 (0.60) | — | |
| SCHEMBL12230422 | 0.77 | CYP19A1 (0.42) | — | |
| SCHEMBL1042079 | 0.76 | — | — |
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 1292 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114751856-A | Synthetic method of 5-iodine-6-methyl nicotinonitrile | 江苏壹药新材料有限公司 | 2022-07-15 | — | — | CN | claimed |
| CN-113603684-A | 1,2, 4-oxadiazole Nrf2 activator-tacrine split product and preparation method and application thereof | 中国药科大学 | 2021-11-05 | — | — | CN | claimed |
| CN-106536515-B | Compound as immunomodulator | 百时美施贵宝公司 | 2019-08-16 | — | — | CN | 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 |
| US-20160185757-A1 | INDOLE DERIVATIVES AS MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF | CONSTELLATION PHARMACEUTICALS, INC. (US) | 2016-06-30 | — | — | US | claimed |
| EP-3033334-A1 | INDOLE DERIVATIVES AS MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF | Constellation Pharmaceuticals, Inc. (US) | 2016-06-22 | — | — | EP | claimed |
| EP-2394996-B1 | PHENYLIMIDAZOLE COMPOUNDS | OTSUKA PHARMA CO LTD (JP) | 2016-06-22 | — | — | EP | claimed |
| WO-2015023915-A1 | INDOLE DERIVATIVES AS MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF | CONSTELLATION PHARMACEUTICALS, INC. (US) | 2015-02-19 | — | — | WO | claimed |
| US-8697868-B2 | 8-[3-amino-piperidin-1-yl]-xanthines, their preparation and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-04-15 | — | — | US | claimed |
| US-20110275823-A1 | PHENYLIMIDAZOLE COMPOUNDS | OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) | 2011-11-10 | — | — | 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 |
| 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 |
| 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 |
| 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 |
| EP-1399438-A1 | NOVEL HETEROARYL DERIVATIVES, THEIR PREPARATION AND USE | H. Lundbeck A/S (DK) | 2004-03-24 | — | — | EP | claimed |
| WO-2003002556-A1 | NOVEL HETEROARYL DERIVATIVES, THEIR PREPARATION AND USE | H. LUNDBECK A/S (DK) | 2003-01-09 | — | — | WO | claimed |