⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6896 | 0.96 | — | — | |
| SCHEMBL3760155 | 0.92 | — | — | |
| SCHEMBL346692 | 0.92 | — | — | |
| SCHEMBL4857244 | 0.77 | ALDH1A1 (0.33) | — | |
| SCHEMBL10475633 | 0.77 | IDO1 (0.41) | — | |
| SCHEMBL1583581 | 0.74 | ALDH1A1 (0.60) | — | |
| SCHEMBL8511251 | 0.72 | — | — | |
| SCHEMBL15957 | 0.71 | — | — | |
| SCHEMBL9008738 | 0.69 | — | — | |
| SCHEMBL2186969 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116178327-A | Synthesis method of butyrolactone compound | 万华化学集团股份有限公司 | 2023-05-30 | — | — | CN | disclosed |
| US-20030078436-A1 | Process for the catalytic preparation of N-acylglycine derivatives | GEISSLER HOLGER (DE) | 2003-04-24 | — | — | US | disclosed |
| US-6320055-B1 | REACTING AN ALDEHYDE, CARBON MONOXIDE AND CARBAMATE USING TRANSITION METAL CATALYST TO FORM AN OXAZOLIDINEDIONE | BASF AKTIENGESELLSCHAFT (DE) | 2001-11-20 | — | — | US | disclosed |
| US-20010007911-A1 | CATALYTIC PREPARATION PROCESS OF N-ACYLGLYCINE DERIVATIVES | AVENTIS RESEARCH & TECHNOLOGIES DEUTCHLAND GMBH & CO. KG. (DE) | 2001-07-12 | — | — | US | disclosed |