⚠ 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 | |
|---|---|---|---|---|
| Methoxymethane SCHEMBL827772 | 0.89 | — | — | |
| SCHEMBL1484000 | 0.67 | — | — | |
| SCHEMBL3260081 | 0.67 | — | — | |
| SCHEMBL17333346 | 0.67 | — | — | |
| SCHEMBL2360766 | 0.67 | — | — | |
| SCHEMBL367010 | 0.65 | — | — | |
| SCHEMBL18422924 | 0.62 | — | — | |
| SCHEMBL4501511 | 0.62 | — | — | |
| SCHEMBL3777097 | 0.62 | — | — | |
| SCHEMBL2228638 | 0.60 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116444551-A | Method for synthesizing secondary trifluoromethyl borate by utilizing visible light-induced decarboxylation cross-coupling reaction | 遵义医科大学 | 2023-07-18 | — | — | CN | disclosed |
| CN-116444551-A | Method for synthesizing secondary trifluoromethyl borate by utilizing visible light-induced decarboxylation cross-coupling reaction | 遵义医科大学 | 2023-07-18 | — | — | CN | disclosed |
| WO-2022118443-A1 | ELECTROLYTE AND DUAL ION BATTERY | 昭和電工マテリアルズ株式会社 | 2022-06-09 | — | — | WO | disclosed |
| CN-113480690-A | Multi-component copolymer and preparation method thereof | 中国科学院长春应用化学研究所 | 2021-10-08 | — | — | CN | disclosed |
| US-8436199-B2 | Strong boron-containing acids, the preparation and use thereof | MERCK PATENT GMBH (DE) | 2013-05-07 | — | — | US | disclosed |
| US-20100069655-A1 | NOVEL STRONG BORON-CONTAINING ACIDS, THE PREPARATION AND USE THEREOF | FINZE MAIK | 2010-03-18 | — | — | US | disclosed |
| US-7645434-B2 | Ionic liquid intermediates by reacting an alkali metal tetrafluoroborate with analkali metal cyanide in a solid state reaction; reacting preferably the potassium salt with an ammonium salt of pyridinium, imidazolium; chemical resistance; low viscosity; waterproofing; storage stability | MERCK PATENT GMBH (DE) | 2010-01-12 | — | — | US | disclosed |
| US-20070293391-A1 | Novel Strong Boron-Containing Acids, The Preparation And Use Thereof | MERCK PATENT GMBH (DE) | 2007-12-20 | — | — | US | disclosed |
| US-20060222584-A1 | Salts comprising cyanoborate anions | MERCK PATENT GMBH (DE) | 2006-10-05 | — | — | US | disclosed |