⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18636650 | 1.00 | — | — | |
| SCHEMBL14498615 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL25237762 | 0.97 | — | — | |
| SCHEMBL8978911 | 0.74 | — | — | |
| SCHEMBL14081833 | 0.73 | — | — | |
| SCHEMBL24050448 | 0.73 | — | — | |
| SCHEMBL14081836 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL9875272 | 0.71 | — | — | |
| SCHEMBL94675 | 0.69 | — | — | |
| SCHEMBL6239009 | 0.69 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230357271-A1 | MACROCYCLIC COMPOUND | ASAHI KASEI PHARMA CORPORATION (JP) | 2023-11-09 | — | — | US | disclosed |
| US-20230357271-A1 | MACROCYCLIC COMPOUND | ASAHI KASEI PHARMA CORPORATION (JP) | 2023-11-09 | — | — | US | disclosed |
| US-20230331719-A1 | Pyrazolopyridine Compounds and Methods of Inhibiting IRE1 Using Same | OPTIKIRA LLC (US) | 2023-10-19 | — | — | US | disclosed |
| US-11177121-B2 | Method for identification of the monoisotopic mass of species of molecules | THERMO FISHER SCIENTIFIC (BREMEN) GMBH (DE) | 2021-11-16 | — | — | US | disclosed |
| EP-3632899-A1 | ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS | RaQualia Pharma Inc. (JP) | 2020-04-08 | — | — | EP | disclosed |
| EP-2562165-A1 | 5-FLUORO PYRIMIDINE DERIVATIVES AS FUNGICIDES | Dow AgroSciences LLC (US) | 2013-02-27 | — | — | EP | disclosed |
| WO-2012062703-A1 | METHOD FOR PREPARING 2,2-DIFLUOROETHYLAMINE STARTING FROM PROP-2-EN-1-AMINE | BAYER CROPSCIENCE AG (DE) | 2012-05-18 | — | — | WO | disclosed |
| WO-2011069994-A1 | METHOD FOR PRODUCING 2,2-DIFLUOROETHYLAMINE AND SALTS THEREOF, STARTING WITH DIFLUOROACETONE NITRILE | BAYER CROPSCIENCE AG (DE) | 2011-06-16 | — | — | WO | disclosed |
| WO-2011042376-A2 | METHOD FOR PRODUCING 2,2-DIFLUOROETHYLAMINE BY HYDROGENATING 1,1-DIFLUORO-2-NITROETHANE | BAYER CROPSCIENCE AG (DE) | 2011-04-14 | — | — | WO | disclosed |
| EP-1930021-A2 | Novel amide derivatives as growth hormone secretagogues | Kaken Pharmaceutical Co., Ltd. (JP) | 2008-06-11 | — | — | EP | disclosed |