⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10884385 | 0.76 | — | — | |
| SCHEMBL1148010 | 0.72 | — | — | |
| SCHEMBL3806335 | 0.72 | TDP1 (0.41) | — | |
| SCHEMBL10392746 | 0.71 | — | — | |
| SCHEMBL4786102 | 0.70 | — | — | |
| SCHEMBL3491755 | 0.68 | TDP1 (0.38) | — | |
| SCHEMBL8076843 | 0.68 | — | — | |
| SCHEMBL10349774 | 0.68 | — | — | |
| SCHEMBL8768371 | 0.68 | — | — | |
| SCHEMBL3381188 | 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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0529601-B1 | Process for the production of optically active vinylglycine in free or protected form by an enzymatic, enantioselective hydrolysis | HOECHST AG (DE) | 1997-07-23 | — | — | EP | disclosed |
| EP-0529601-A1 | Process for the production of optically active vinylglycine in free or protected form by an enzymatic, anantioselective hydrolysis | HOECHST AKTIENGESELLSCHAFT (DE) | 1993-03-03 | — | — | EP | disclosed |
| EP-0238245-B1 | 3-HALOVINYLGLYCINE ANTIBACTERIAL AGENTS | MERCK & CO. INC. (US) | 1990-06-20 | — | — | EP | disclosed |
| US-4806680-A | REACTING IN N-PROTECTED VINYLGLYCINE ESTER WITH ARYLSELENENYL HALIDE, OXIDATION THE ADDUCT, HEATING IN MINERAL ACID | MERCK & CO., INC. (US) | 1989-02-21 | — | — | US | disclosed |
| US-4727062-A | INHIBITORS OF ALANINE RACEMASE | MERCK & CO., INC. (US) | 1988-02-23 | — | — | US | disclosed |
| EP-0238245-A1 | 3-Halovinylglycine antibacterial agents | MERCK & CO. INC. (US) | 1987-09-23 | — | — | EP | disclosed |