⚠ 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 | |
|---|---|---|---|---|
| Ethyl Acetate SCHEMBL28330467 | 0.97 | ALDH1A1 (0.88) | — | |
| Ethyl Acetate SCHEMBL29286783 | 0.97 | — | — | |
| Ethyl Acetate SCHEMBL1330811 | 0.97 | — | — | |
| Ethyl Acetate SCHEMBL70316 | 0.97 | ALDH1A1 (1.00) | — | |
| Ethyl Acetate SCHEMBL28457765 | 0.97 | ALDH1A1 (1.00) | — | |
| Ethyl Acetate SCHEMBL28615209 | 0.97 | ALDH1A1 (1.00) | — | |
| Ethyl Acetate SCHEMBL30152067 | 0.97 | — | — | |
| Ethyl Acetate SCHEMBL1331901 | 0.97 | — | — | |
| Ethyl Acetate SCHEMBL1331990 | 0.97 | — | — | |
| Ethyl Acetate SCHEMBL8506185 | 0.97 | ALDH1A1 (1.00) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-107226821-A | A kind of synthesis technique that difluorine oxalic acid boracic acid lithium is prepared with di-oxalate lithium borate | 上海如鲲新材料有限公司 | 2017-10-03 | — | — | CN | claimed |
| CN-107226821-B | A kind of synthesis technology preparing difluorine oxalic acid boracic acid lithium with di-oxalate lithium borate | 上海如鲲新材料有限公司 | 2019-06-21 | — | — | CN | disclosed |
| CN-107226821-A | A kind of synthesis technique that difluorine oxalic acid boracic acid lithium is prepared with di-oxalate lithium borate | 上海如鲲新材料有限公司 | 2017-10-03 | — | — | CN | disclosed |