⚠ 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 | |
|---|---|---|---|---|
| 3-Heptanol SCHEMBL7527598 | 1.00 | — | — | |
| 3-Heptanol SCHEMBL26280 | 1.00 | — | — | |
| 3-Heptanol SCHEMBL28178814 | 0.97 | — | — | |
| 3-Heptanol SCHEMBL31475518 | 0.97 | — | — | |
| 3-Heptanol SCHEMBL27383700 | 0.97 | — | — | |
| 3-Heptanol SCHEMBL1876332 | 0.97 | ALDH1A1 (0.46) | — | |
| 3-Heptanol SCHEMBL28846706 | 0.97 | — | — | |
| 3-Heptanol SCHEMBL27989023 | 0.97 | — | — | |
| 3-Heptanol SCHEMBL28134019 | 0.97 | — | — | |
| SCHEMBL1329655 | 0.94 | FFAR4 (0.45) | — |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130210704-A1 | NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF | S&T GLOBAL INC. (US) | 2013-08-15 | — | — | US | disclosed |
| WO-2013028670-A1 | 2-SPIRO-SUBSTITUTED IMINOTHIAZINES AND THEIR MONO-AND DIOXIDES AS BACE INHIBITORS, COMPOSITIONS AND THEIR USE | MERCK SHARP & DOHME CORP. (US) | 2013-02-28 | — | — | WO | disclosed |
| US-7977441-B2 | Acetylene-based polymer | NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) | 2011-07-12 | — | — | US | disclosed |
| US-7977441-B2 | Acetylene-based polymer | NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) | 2011-07-12 | — | — | US | disclosed |
| WO-2011044185-A2 | PENTAFLUOROSULFUR IMINO HETEROCYCLIC COMPOUNDS AS BACE-1 INHIBITORS, COMPOSITIONS, AND THEIR USE | SCHERING CORPORATION (US) | 2011-04-14 | — | — | WO | disclosed |
| WO-2010057126-A1 | PYRIDINE AND PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS | AMGEN INC. (US) | 2010-05-20 | — | — | WO | disclosed |
| US-20090253872-A1 | Acetylene-Based Polymer | NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) | 2009-10-08 | — | — | US | disclosed |
| US-20090253872-A1 | Acetylene-Based Polymer | NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) | 2009-10-08 | — | — | US | disclosed |
| US-7534908-B2 | Method for the production of optically active 3-alkylcarboxylic acids and the intermediate products thereof | WACKER CHEMIE AG (DE) | 2009-05-19 | — | — | US | disclosed |
| WO-2009026276-A1 | 5- (4- (HALOALKOXY) PHENYL) PYRIMIDINE-2-AMINE COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS | IRM LLC (BM) | 2009-02-26 | — | — | WO | disclosed |
| WO-2008041090-A1 | MALANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONIST PYRIDINONES | PFIZER LIMITED (GB) | 2008-04-10 | — | — | WO | disclosed |
| EP-1903068-A1 | Biodegradable poly(beta-amino esters) and uses thereof | Massachusetts Institute of Technology (MIT) (US) | 2008-03-26 | — | — | EP | disclosed |
| US-20070225519-A1 | Method for the Production of Optically Active 3-Alkyl Carboxylic Acids and the Intermediate Products Thereof | CONSORTIUM FUER ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) | 2007-09-27 | — | — | US | disclosed |
| US-20020119909-A1 | Preparation of enantiomerically enriched flavor and fragrance components | RHODIA CHIREX, INC. | 2002-08-29 | — | — | US | disclosed |
| WO-2002057227-A2 | PROCESS OF ENANTIOMERICALLY ENRICHED FLAVOR AND FRAGRANCE COMPONENTS | RHODIA/CHIREX, INC. (US) | 2002-07-25 | — | — | WO | disclosed |
| EP-0487093-B1 | Liquid crystal compound and liquid crystal display device | MITSUBISHI GAS CHEMICAL CO (JP) | 1995-05-10 | — | — | EP | disclosed |
| US-5378396-A | Diester aromatic antiferroelectric liquid crystals | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 1995-01-03 | — | — | US | disclosed |
| EP-0487093-A2 | Liquid crystal compound and liquid crystal display device | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 1992-05-27 | — | — | EP | disclosed |