⚠ 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 | |
|---|---|---|---|---|
| Propionaldehyde SCHEMBL1976927 | 0.95 | — | — | |
| Propionaldehyde SCHEMBL105930 | 0.95 | — | — | |
| Propionaldehyde SCHEMBL1332840 | 0.91 | — | — | |
| Propionaldehyde SCHEMBL28164384 | 0.91 | — | — | |
| Propionaldehyde SCHEMBL4992 | 0.91 | — | — | |
| Propionaldehyde SCHEMBL7323052 | 0.91 | — | — | |
| Propionaldehyde SCHEMBL5310572 | 0.91 | — | — | |
| Propionaldehyde SCHEMBL9135951 | 0.86 | — | — | |
| Propionaldehyde SCHEMBL5604120 | 0.86 | — | — | |
| Propionaldehyde SCHEMBL6226130 | 0.86 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2687566-B1 | USE OF AN AQUEOUS METAL SURFACE TREATMENT AGENT FOR LITHIUM ION SECONDARY CELL | KYORITSU CHEMICAL & CO LTD (JP) | 2017-04-19 | — | — | EP | disclosed |
| US-9550910-B2 | Aqueous metal surface treatment agent for lithium ion secondary battery | KYORITSU CHEMICAL & CO., LTD. (JP) | 2017-01-24 | — | — | US | disclosed |
| US-20160083608-A1 | AQUEOUS METAL SURFACE TREATMENT AGENT FOR LITHIUM ION SECONDARY BATTERY | KYORITSU CHEMICAL & CO., LTD. (JP) | 2016-03-24 | — | — | US | disclosed |
| EP-2687566-A1 | AQUEOUS METAL SURFACE TREATMENT AGENT FOR LITHIUM ION SECONDARY CELL | Kyoritsu Chemical & Co., Ltd. (JP) | 2014-01-22 | — | — | EP | disclosed |
| US-20140005314-A1 | AQUEOUS METAL SURFACE TREATMENT AGENT FOR LITHIUM ION SECONDARY BATTERY | THE NIPPON SYNTHETIC CHEMICAL INDUSTRY CO., LTD. (JP) | 2014-01-02 | — | — | US | disclosed |
| CN-103429682-A | Aqueous metal surface treatment agent for lithium ion secondary cell | KYORITSU CHEMICAL CO LTD | 2013-12-04 | — | — | CN | disclosed |