⚠ 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 | |
|---|---|---|---|---|
| Isopropyl Alcohol SCHEMBL365172 | 0.79 | ALDH1A1 (0.40) | — | |
| SCHEMBL3432366 | 0.77 | ALDH1A1 (0.38) | — | |
| Methoxymethane SCHEMBL10435328 | 0.76 | — | — | |
| Methyl Alcohol SCHEMBL365291 | 0.75 | — | — | |
| SCHEMBL7111729 | 0.74 | — | — | |
| SCHEMBL9852 | 0.74 | — | — | |
| SCHEMBL8108425 | 0.74 | TSHR (0.35) | — | |
| SCHEMBL1532385 | 0.74 | TSHR (0.61) | — | |
| Tert-Butanol SCHEMBL28273826 | 0.72 | ALDH1A1 (0.35) | — | |
| Water SCHEMBL525261 | 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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20240190882-A1 | Crystalline Forms of 2-[3-[4-Amino-3-(2-Fluoro-4-Phenoxy-Phenyl)-1H-Pyrazolo[3,4-D]Pyrimidin-1-YL]Piperidine-1-Carbonyl]-4,4-Dimethylpent-2-Enenitrile | PRINCIPIA BIOPHARMA INC. (US) | 2024-06-13 | — | — | US | disclosed |
| US-20230242505-A1 | PROCESS, COMPOSITIONS, AND CRYSTALLINE FORMS OF SUBSTITUTED PYRIDINONE-PYRIDINYL COMPOUNDS | ACLARIS THERAPEUTICS, INC. | 2023-08-03 | — | — | US | disclosed |
| US-11667641-B2 | Crystalline forms of 2-[3-[4-amino-3-(2-fluoro-4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carbonyl]-4,4-dimethylpent-2-enenitrile | PRINCIPIA BIOPHARMA INC. (US) | 2023-06-06 | — | — | US | disclosed |
| US-20230149400-A1 | METHODS AND COMPOSITIONSFOR TREATING VIRAL INFECTIONS | ACLARIS THERAPEUTICS, INC. | 2023-05-18 | — | — | US | disclosed |
| US-20210206772-A1 | CRYSTALLINE FORMS OF 2-[3-[4-AMINO-3-(2-FLUORO-4-PHENOXY-PHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-1-YL]PIPERIDINE-1-CARBONYL]-4,4-DIMETHYLPENT-2-ENENITRILE | PRINCIPIA BIOPHARMA INC. | 2021-07-08 | — | — | US | disclosed |
| US-20210205313-A1 | TOPICAL PHARMACEUTICAL COMPOSITIONS COMPRISING 2-[3-[4-AMINO-3-(2-FLUORO-4-PHENOXY-PHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-1-YL]PIPERIDINE-1-CARBONYL]-4,4-DIMETHYLPENT-2-ENENITRILE | PRINCIPIA BIOPHARMA INC. | 2021-07-08 | — | — | US | disclosed |
| EP-2292585-B1 | Screening for solid forms by ultrasound crystallization and cocrystallization using ultrasound | APTUIT WEST LAFAYETTE LLC (US) | 2016-04-27 | — | — | EP | disclosed |
| US-8920559-B2 | Screening for solid forms by ultrasound crystallization and cocrystallization using ultrasound | APTUIT (WEST LAFAYETTE), LLC (US) | 2014-12-30 | — | — | US | disclosed |
| WO-2014145600-A1 | ACH-0142684 SODIUM SALT POLYMORPHS, COMPOSITION INCLUDING THE SAME, AND METHOD OF MANUFACTURE THEREOF | ACHILLION PHARMACEUTICALS, INC. (US) | 2014-09-18 | — | — | WO | disclosed |
| US-20110251426-A1 | SCREENING FOR SOLID FORMS BY ULTRASOUND CRYSTALLIZATION AND COCRYSTALLIZATION USING ULTRASOUND | S.S.C.I., INC. (US) | 2011-10-13 | — | — | US | disclosed |
| EP-2292585-A1 | Screening for solid forms by ultrasound crystallization and cocrystallization using ultrasound | APTUIT (KANSAS CITY), LLC (US) | 2011-03-09 | — | — | EP | disclosed |
| US-20070287194-A1 | Screening For Solid Forms By Ultrasound Crystallization And Cocrystallization Using Ultrasound | S.S.C.I., INC | 2007-12-13 | — | — | US | disclosed |