⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5315127 | 0.69 | — | — | |
| Acetonitrile SCHEMBL28310498 | 0.69 | — | — | |
| SCHEMBL24845866 | 0.65 | — | — | |
| SCHEMBL20745912 | 0.65 | — | — | |
| SCHEMBL1128329 | 0.65 | — | — | |
| SCHEMBL17007823 | 0.64 | KCNA4 (0.35) | — | |
| SCHEMBL17931764 | 0.61 | — | — | |
| SCHEMBL15134442 | 0.61 | — | — | |
| SCHEMBL2031403 | 0.60 | EPHX1 (0.32) | — | |
| SCHEMBL50056 | 0.60 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-11639338-B1 | Compound producing method, and compound | KUREHA CORPORATION (JP) | 2023-05-02 | — | — | US | disclosed |
| CN-1317309-C | Process for the production of sap | LIST AG (CH) | 2007-05-23 | — | — | CN | disclosed |
| CN-1688615-A | Process for the production of sap | LIST AG (CH) | 2005-10-26 | — | — | CN | disclosed |
| US-6395904-B1 | HYDROXYAMIDE COMPLEXES WITH IRON | YALE UNIVERSITY | 2002-05-28 | — | — | US | disclosed |
| WO-1999010357-A1 | BINUCLEAR NON-HEME IRON CATALYSTS | YALE UNIVERSITY (US) | 1999-03-04 | — | — | WO | disclosed |
| US-3975431-A | Preparing carboxylic acids from glycidonitriles through enol acylates | THE UPJOHN COMPANY (US) | 1976-08-17 | — | — | US | disclosed |