⚠ 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 | |
|---|---|---|---|---|
| Acetonitrile SCHEMBL31357011 | 1.00 | — | — | |
| Acetonitrile SCHEMBL4020626 | 0.91 | — | — | |
| Acetonitrile SCHEMBL3701719 | 0.78 | — | — | |
| Acetonitrile SCHEMBL1594871 | 0.78 | — | — | |
| Acetonitrile SCHEMBL30662442 | 0.74 | — | — | |
| Acetonitrile SCHEMBL30662445 | 0.74 | — | — | |
| Acetonitrile SCHEMBL1330624 | 0.68 | — | — | |
| Acetonitrile SCHEMBL10523138 | 0.68 | — | — | |
| Acetonitrile SCHEMBL6693864 | 0.68 | — | — | |
| Acetonitrile SCHEMBL1331294 | 0.68 | — | — |
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
Appears in 6244 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2025041809-A1 | METHOD FOR PRODUCING DEUTERATED COMPOUND | 国立大学法人九州大学 | 2025-02-27 | — | — | WO | claimed |
| CN-111971570-B | Method for quantitative determination of heteronuclear by nuclear magnetic resonance spectroscopy, reference substance thereof and method for determination of deuteration degree of deuterated compound | 布鲁克碧奥斯平有限公司 | 2023-08-25 | — | — | CN | claimed |
| CN-114163487-B | Preparation method of stable isotope deuterium labeled D-fructose-1, 2,3,4,5-O-D5 | 上海化工研究院有限公司 | 2023-08-01 | — | — | CN | claimed |
| CN-114752069-A | Multi-stage self-assembly adhesive conductive gel connected by anion coordination triple helix and synthesis method thereof | 西北大学 | 2022-07-15 | — | — | CN | claimed |
| EP-3762732-B1 | METHOD FOR HETERONUCLEAR QUANTITATIVE DETERMINATION USING NMR-SPECTROSCOPY AND METHOD FOR DETERMINING THE DEGREE OF DEUTERATION OF A DEUTERATED COMPOUND | BRUKER BIOSPIN GMBH (DE) | 2022-05-04 | — | — | EP | claimed |
| CN-109641873-B | N- (pyridin-2-yl) pyridine-sulfonamide derivatives and their use for the treatment of disease | 诺华股份有限公司 | 2022-03-18 | — | — | CN | claimed |
| US-20220026380-A1 | NUCLEAR MAGNETIC RESONANCE IMPLEMENTED SYNTHETIC INDOLE AND INDAZOLE CANNABINOID DETECTION, IDENTIFICATION, AND QUANTIFICATION | HOFSTRA UNIVERSITY (US) | 2022-01-27 | — | — | US | claimed |
| EP-2435060-B1 | OCCIDIOFUNGIN, A UNIQUE ANTIFUNGAL GLYCOPEPTIDE PRODUCED BY A STRAIN OF BURKHOLDERIA CONTAMINANS | UNIV MISSISSIPPI STATE (US) | 2019-08-28 | — | — | EP | claimed |
| US-9524830-B2 | Method for selecting nanoporous carbon material for polarizable electrode, method for manufacturing such polarizable electrodes and method for manufacturing electrochemical double layer capacitor | YUNASKO LIMITED (GB) | 2016-12-20 | — | — | US | claimed |
| US-20130139951-A1 | METHOD FOR SELECTING NANOPOROUS CARBON MATERIAL FOR POLARIZABLE ELECTRODE, METHOD FOR MANUFACTURING SUCH POLARIZABLE ELECTRODES AND METHOD FOR MANUFACTURING ELECTROCHEMICAL DOUBLE LAYER CAPACITOR | YUNASKO LIMITED (GB) | 2013-06-06 | — | — | US | claimed |
| WO-2013080054-A2 | METHOD FOR SELECTING NANOPOROUS CARBON MATERIAL FOR POLARIZABLE ELECTRODE, METHOD FOR MANUFACTURING SUCH POLARIZABLE ELECTRODES AND METHOD FOR MANUFACTURING ELECTROCHEMICAL DOUBLE LAYER CAPACITOR | YUNASKO LIMITED (GB) | 2013-06-06 | — | — | WO | claimed |
| US-20110275195-A1 | METHOD OF TREATING A SEMICONDUCTOR DEVICE | MICRON TECHNOLOGY, INC. | 2011-11-10 | — | — | US | claimed |
| US-20090016964-A1 | HYPERPOLARIZATION METHODS, SYSTEMS AND COMPOSITIONS | KALECHOFSKY NEAL | 2009-01-15 | — | — | US | claimed |
| EP-1986702-A2 | HYPERPOLARIZATION METHODS, SYSTEMS AND COMPOSITIONS | Belzer, Avrum (US) | 2008-11-05 | — | — | EP | claimed |
| WO-2007136439-A2 | HYPERPOLARIZATION METHODS, SYSTEMS AND COMPOSITIONS | BELZER AVRUM (US) | 2007-11-29 | — | — | WO | claimed |
| US-20260144795-A1 | SPIROMACROCYCLIC OREXIN 2 RECEPTOR AGONISTS | H. LUNDBECK A/S (DK) | 2026-05-28 | — | — | US | disclosed |
| US-20260146039-A1 | NEUROPLASTIGEN MODULATORS FOR THE TREATMENT OF PAIN, ITCH AND NERVE INJURY | CACTI, INC. (US) | 2026-05-28 | — | — | US | disclosed |
| US-4026953-A | Solvents for NMR spectroscopy | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) | 1977-05-31 | — | — | US | disclosed |
| US-3954410-A | Solvents for NMR spectroscopy | MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DT) | 1976-05-04 | — | — | US | disclosed |
| US-3932451-A | PHOTOSENSITIZERS, ANTIFOGGING | E. I. DU PONT DE NEMOURS & COMPANY (US) | 1976-01-13 | — | — | US | disclosed |