⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15203490 | 1.00 | — | — | |
| SCHEMBL8809037 | 1.00 | — | — | |
| SCHEMBL28803446 | 0.82 | — | — | |
| SCHEMBL10880977 | 0.82 | — | — | |
| SCHEMBL28846572 | 0.82 | — | — | |
| SCHEMBL23499212 | 0.82 | — | — | |
| SCHEMBL11208733 | 0.82 | — | — | |
| SCHEMBL276353 | 0.82 | — | — | |
| Iodide SCHEMBL8861239 | 0.82 | — | — | |
| Fluoride SCHEMBL28440916 | 0.82 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107759625-A | The preparation method of 4 (the base epoxide of the dihydrobenzo of 1 hydroxyl 1,3 [c] [1,2] oxaborol 5) benzene cyanogen | 药源药物化学（上海）有限公司 | 2018-03-06 | — | — | CN | claimed |
| CN-113549084-A | Method for stereoselectively synthesizing chiral lactone | 杭州科兴生物化工有限公司 | 2021-10-26 | — | — | CN | disclosed |
| WO-2018211410-A1 | IMPROVED PROCESS FOR PREPARATION OF FOSAPREPITANT OR SALT THEREOF | GLENMARK PHARMACEUTICALS LIMITED (IN) | 2018-11-22 | — | — | WO | disclosed |
| CN-107759625-A | The preparation method of 4 (the base epoxide of the dihydrobenzo of 1 hydroxyl 1,3 [c] [1,2] oxaborol 5) benzene cyanogen | 药源药物化学（上海）有限公司 | 2018-03-06 | — | — | CN | disclosed |
| CN-104254188-B | Miniature normal-voltage glow discharge plasma excitation source | 中国地质大学（武汉） | 2017-02-01 | — | — | CN | disclosed |
| CN-104897848-A | Method for measuring total iron in copper-bearing or ferrovanadium-bearing ores | WUHAN IRON & STEEL GROUP CORP | 2015-09-09 | — | — | CN | disclosed |
| CN-104254188-A | Miniature normal-voltage glow discharge plasma excitation source | UNIV CHINA GEOSCIENCES WUHAN | 2014-12-31 | — | — | CN | disclosed |