⚠ 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL1537041 | 0.95 | — | — | |
| SCHEMBL1991873 | 0.90 | HDAC8 (0.50) | — | |
| SCHEMBL486560 | 0.88 | HDAC8 (0.48) | — | |
| Sulfuric Acid SCHEMBL2866328 | 0.84 | HDAC8 (0.45) | — | |
| Thiocyanic Acid SCHEMBL666158 | 0.84 | HDAC8 (0.53) | — | |
| Cyanate SCHEMBL28816941 | 0.84 | HDAC8 (0.53) | — | |
| Acetic Acid SCHEMBL17238894 | 0.83 | HDAC8 (0.43) | — | |
| SCHEMBL3682605 | 0.80 | HDAC8 (0.41) | — | |
| SCHEMBL2699540 | 0.78 | HDAC8 (0.43) | — | |
| Trifluoromethanesulfonic Acid SCHEMBL1681519 | 0.77 | HDAC8 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9243013-B2 | Ionic compound, method for producing the same, and ion-conductive material comprising the same | NIPPON SHOKUBAI CO., LTD. (JP) | 2016-01-26 | — | — | US | disclosed |
| EP-1698606-B1 | FLUORINATING AGENT AND METHOD FOR PRODUCING FLUORINE-CONTAINING COMPOUND USING SAME | SUMITOMO CHEMICAL CO (JP) | 2013-02-20 | — | — | EP | disclosed |
| US-20110150736-A1 | IONIC COMPOUND, METHOD FOR PRODUCING THE SAME, AND ION-CONDUCTIVE MATERIAL COMPRISING THE SAME | NIPPON SHOKUBAI CO., LTD. (JP) | 2011-06-23 | — | — | US | disclosed |
| EP-2327707-A1 | IONIC COMPOUND, PROCESS FOR PRODUCING SAME, AND ION-CONDUCTIVE MATERIAL COMPRISING SAME | Nippon Shokubai Co., Ltd. (JP) | 2011-06-01 | — | — | EP | disclosed |
| US-7939697-B2 | Fluorinating agent and method for producing fluorine-containing compound using the same | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2011-05-10 | — | — | US | disclosed |
| US-20090287025-A1 | Fluorinating agent and method for producing fluorine-containing compound using the same | SUMITOMO CHEMICAL COMPANY, LIMITED | 2009-11-19 | — | — | US | disclosed |
| US-7569703-B2 | Fluorinating agent and method for producing fluorine-containing compound using the same | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2009-08-04 | — | — | US | disclosed |
| US-20070135634-A1 | Fluorinating agent and method for producing fluorine-containing compound using the same | SUMITOMO CHEMICAL COMPANY, LIMITED | 2007-06-14 | — | — | US | disclosed |
| EP-1698606-A1 | FLUORINATING AGENT AND METHOD FOR PRODUCING FLUORINE-CONTAINING COMPOUND USING SAME | Sumitomo Chemical Company, Limited (JP) | 2006-09-06 | — | — | EP | disclosed |