⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30143480 | 0.74 | ALDH1A1 (0.31) | — | |
| Lithium Ion SCHEMBL31015808 | 0.74 | ALDH1A1 (0.31) | — | |
| SCHEMBL16758706 | 0.74 | CA1 (0.33) | — | |
| Lithium Ion SCHEMBL1997799 | 0.74 | ALDH1A1 (0.31) | — | |
| Potassium Ion SCHEMBL1466551 | 0.74 | ALDH1A1 (0.31) | — | |
| Ammonia Solution, Strong SCHEMBL1999906 | 0.74 | ALDH1A1 (0.31) | — | |
| SCHEMBL15212303 | 0.72 | TSHR (0.40) | — | |
| Tetramethylammonium Ion SCHEMBL1995405 | 0.72 | CHRNB2 (0.33) | — | |
| SCHEMBL16059828 | 0.69 | ALDH1A1 (0.38) | — | |
| SCHEMBL1996407 | 0.67 | — | — |
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 3 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 |
| 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 |