⚠ 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 | |
|---|---|---|---|---|
| Propanol SCHEMBL10589894 | 1.00 | — | — | |
| Propanol SCHEMBL17888700 | 0.90 | ALDH1A1 (0.35) | — | |
| Propanol SCHEMBL28762423 | 0.88 | — | — | |
| Acetone SCHEMBL10891357 | 0.87 | CES1 (0.36) | — | |
| Ethylene Glycol SCHEMBL9840995 | 0.84 | — | — | |
| Ethylene Glycol SCHEMBL20702264 | 0.84 | TSHR (0.46) | — | |
| Ethylene Glycol SCHEMBL1956608 | 0.84 | — | — | |
| Acetonitrile SCHEMBL7327719 | 0.84 | ALDH1A1 (0.55) | — | |
| Acetonitrile SCHEMBL195728 | 0.84 | — | — | |
| Acetonitrile SCHEMBL1037904 | 0.84 | ALDH1A1 (0.55) | — |
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 101 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115219603-B | Method for simultaneously measuring vitamins A, D, E in sample | 仙乐健康科技股份有限公司 | 2024-07-12 | — | — | CN | claimed |
| WO-2018113801-A1 | CRYSTALLINE FORMS OF2-[1-ETHYLSULFONYL-3-[4-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)PYRAZOL-1-YL]AZETIDIN-3-YL]ACETONITRILE WITH PHOSPHORIC ACID AND A METHOD OF THEIR PREPARATION | ZENTIVA, K.S. (CZ) | 2018-06-28 | — | — | WO | claimed |
| CN-103951549-B | A kind of synthetic method of COX-2 enzyme inhibitors celecoxib intermediate | HEBEI UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) | 2016-04-27 | — | — | CN | claimed |
| CN-103951549-A | Synthetic method of COX-2 enzyme inhibitor celecoxib intermediate | UNIV HEBEI SCIENCE & TECH | 2014-07-30 | — | — | CN | claimed |
| US-20090170915-A1 | POLYMORPHIC FORMS OF (S)-1-cyanobutan-2-yl (S)-1-(3-(3-(3-methoxy-4-(oxazol-5-yl)phenyl)uriedo)phenyl)ethylcarbamate | VERTEX PHARMACEUTICALS INCORPORATED | 2009-07-02 | — | — | US | claimed |
| CN-101223150-A | Polymorphic forms of -1-cyanobut-2-yl -1- (3- (3- (3-methoxy-4- (* oxazol-5-yl) phenyl) ureido) phenyl) ethylcarbamate | VERTEX PHARMA (US) | 2008-07-16 | — | — | CN | claimed |
| EP-1902040-A2 | POLYMORPHIC FORMS OF (S)-1-CYANOBUTAN-2-YL (S)-1-(3-(3-(3-METHOXY-4-(OXAZOL-5-YL) PHENYL) UREIDO) PHENYL) ETHYLCARBAMATE | Vertex Pharmaceuticals Incorporated (US) | 2008-03-26 | — | — | EP | claimed |
| US-20070099972-A1 | Polymorphic forms of (S)-1-cyanobutan-2-yl (S)-1-(3-(3-(3-methoxy-4- (oxazol-5-yl)phenyl) ureido)phenyl) ethylcarbamate | VERTEX PHARMACEUTICALS INCORPORATED | 2007-05-03 | — | — | US | claimed |
| WO-2006127909-A2 | POLYMORPHIC FORMS OF (S)-1-CYANOBUTAN-2-YL (S)-1-(3-(3-(3-METHOXY-4-(OXAZOL-5-YL) PHENYL) UREIDO) PHENYL) ETHYLCARBAMATE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2006-11-30 | — | — | WO | claimed |
| US-6509450-B2 | Determining rate of bone resorption by measuring peptides in body fluid having 3-hydroxypyridinium cross-link; diagnostic tool for Paget's disease | WASHINGTON RESEARCH FOUNDATION | 2003-01-21 | — | — | US | claimed |
| US-6204367-B1 | ENZYME LINKED IMMUNOSORBENT ASSAY (ELISA) KIT FOR DETERMINING THE ABSOLUTE RATE OF BONE RESORPTION BY QUANTITATING THE CONCENTRATION OF 3-HYDROXYPYRIDINIUM CROSSLINKS DERIVED FROM BONE COLLAGEN RESORPTION IN URINE; PAGET'S DISEASE | WASHINGTON RESEARCH FOUNDATION | 2001-03-20 | — | — | US | claimed |
| US-6048705-A | DETECTING CONNECTIVE TISSUE GLYCOPROTEIN RESORPTION IN VIVO; FOR DETECTING AND MONITORING CONNECTIVE TISSUE GLYCOPROTEIN DEGRADATION IN SITU | WASHINGTON RESEARCH FOUNDATION (US) | 2000-04-11 | — | — | US | claimed |
| US-6027903-A | COMPRISING AN IMMUNOLOGICAL BINDING PARTNER WHICH BINDS TO AN AMINO-TERMINAL OR CARBOXY-TERMINAL TYPE I COLLAGEN TELOPEPTIDE ISOLATABLE FROM URINE SAMPLE OF PATIENT WITH PAGET'S DISEASE; FOR QUANTITATIVE ANALYSIS | WASHINGTON RESEARCH FOUNDATION (US) | 2000-02-22 | — | — | US | claimed |
| US-5962639-A | AMINO ACID SEQUENCES CORRESPONDING TO ALPHA 1 OR ALPHA 2 TELOPEPTIDE WITH HYDROXYPYRIDINIUM CROSSLINK; USEFUL FOR CALIBRATION AND ANTIGENS IN IMMUNOASSAYS | WASHINGTON RESEARCH FOUNDATION (US) | 1999-10-05 | — | — | US | claimed |
| US-5834221-A | Assay for type I collagen carboxy-terminal telopeptide analytes | WASHINGTON RESEARCH FOUNDATION (US) | 1998-11-10 | — | — | US | claimed |
| CN-113214066-B | Gossypol crystal II substance, preparation method, composition and application thereof | 中国医学科学院药物研究所 | 2024-05-14 | — | — | CN | disclosed |
| CN-118001766-A | Acetonitrile purification device and purification method for water-acetonitrile-n-propanol ternary system pressure swing distillation | 淮阴工学院 | 2024-05-10 | — | — | CN | disclosed |
| CN-85109061-A | The preparation method of novel acid benzazolyl compounds | — | 1987-01-21 | — | — | CN | disclosed |
| EP-0208510-A2 | 1-Substituted oxindole-3-carboxamines as antiinflammatory and analgesic agents | PFIZER INC. (US) | 1987-01-14 | — | — | EP | disclosed |
| CN-86105309-A | Oxindole-3-carbonyl amines the compound that replaces as the 1-of anti-inflammatory and anodyne | — | 1987-01-14 | — | — | CN | disclosed |