⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL105390 | 0.75 | — | — | |
| SCHEMBL9921701 | 0.75 | TSHR (0.60) | — | |
| SCHEMBL29154617 | 0.75 | TSHR (0.46) | — | |
| Hydrochloric Acid SCHEMBL11907969 | 0.73 | — | — | |
| SCHEMBL5751102 | 0.72 | — | — | |
| SCHEMBL23130685 | 0.71 | — | — | |
| SCHEMBL9918197 | 0.71 | TSHR (0.55) | — | |
| SCHEMBL9021336 | 0.71 | — | — | |
| SCHEMBL12061418 | 0.71 | — | — | |
| SCHEMBL467469 | 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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112313207-A | Cyano-substituted pyridine and cyano-substituted pyrimidine compounds, and preparation methods and applications thereof | 北京赛特明强医药科技有限公司 | 2021-02-02 | — | — | CN | claimed |
| CN-109319750-A | A kind of method that microwave heating prepares α-siliconnitride nanobelt | 江西宏柏新材料股份有限公司 | 2019-02-12 | — | — | CN | claimed |
| US-9130244-B2 | Nonaqueous electrolyte solution and electrochemical element using same | UBE INDUSTRIES, LTD. (JP) | 2015-09-08 | — | — | US | disclosed |
| EP-2908376-A1 | NONAQUEOUS ELECTROLYTE SOLUTION AND ELECTROCHEMICAL ELEMENT USING SAME | Ube Industries, Ltd. (JP) | 2015-08-19 | — | — | EP | disclosed |
| EP-2479831-A1 | NONAQUEOUS ELECTROLYTE SOLUTION AND ELECTROCHEMICAL ELEMENT USING SAME | Ube Industries, Ltd. (JP) | 2012-07-25 | — | — | EP | disclosed |
| US-20120171581-A1 | NONAQUEOUS ELECTROLYTE SOLUTION AND ELECTROCHEMICAL ELEMENT USING SAME | UBE INDUSTRIES, LTD. (JP) | 2012-07-05 | — | — | US | disclosed |
| WO-2001049288-A9 | NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS | MERCK FROSST CANADA INC (CA) | 2001-10-25 | — | — | WO | disclosed |
| EP-1131290-A1 | PIPERIDINE CCR-3 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2001-09-12 | — | — | EP | disclosed |
| WO-2000031033-A1 | PIPERIDINE CCR-3 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2000-06-02 | — | — | WO | disclosed |
| US-4293717-A | Process for preparing aldehydes and diols | BAYER AKTIENGESELLSCHAFT (DE) | 1981-10-06 | — | — | US | disclosed |
| US-4013723-A | REACTION OF AN OXIRANE WITH HYDROGEN PEROXIDE | BAYER AKTIENGESELLSCHAFT (DT) | 1977-03-22 | — | — | US | disclosed |
| US-3974224-A | HYDROGEN PEROXIDE | BAYER AKTIENGESELLSCHAFT (DT) | 1976-08-10 | — | — | US | disclosed |
| US-3972944-A | BORON OXIDE, BORIC ACID OR BORATE AND VANADIUM OR MOLYBDENUM CONTAINING CATALYST | BAYER AKTIENGESELLSCHAFT (DT) | 1976-08-03 | — | — | US | disclosed |