⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11687845 | 0.85 | HSD17B10 (0.52) | — | |
| SCHEMBL14477587 | 0.80 | CYP3A4 (0.34) | — | |
| SCHEMBL1376392 | 0.79 | HSD17B10 (0.47) | — | |
| SCHEMBL12899468 | 0.78 | MEN1 (0.39) | — | |
| SCHEMBL12899469 | 0.78 | MEN1 (0.39) | — | |
| SCHEMBL9577787 | 0.77 | GAA (0.46) | — | |
| SCHEMBL1252907 | 0.77 | PRKD3 (0.33) | — | |
| SCHEMBL9254155 | 0.76 | LMNA (0.38) | — | |
| SCHEMBL19929592 | 0.74 | HSD17B10 (0.44) | — | |
| SCHEMBL10285411 | 0.74 | HSD17B10 (0.44) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0394838-B1 | Process for the preparation of 3,4-epoxyalkane- and/or 4-hydroxy-2-alkene carbonic acids and their esters | BASF AG (DE) | 1995-07-05 | — | — | EP | disclosed |
| EP-0394844-B1 | PROCESS FOR THE PREPARATION OF 4-KETOCARBOXYLIC ACIDS AND THEIR ESTERS | BASF Aktiengesellschaft (DE) | 1993-08-04 | — | — | EP | disclosed |
| EP-0394838-A1 | Process for the preparation of 3,4-epoxyalkane- and/or 4-hydroxy-2-alkene carbonic acids and their esters | BASF Aktiengesellschaft (DE) | 1990-10-31 | — | — | EP | disclosed |
| EP-0394844-A1 | Process for the preparation of 4-ketocarboxylic acids and their esters | BASF Aktiengesellschaft (DE) | 1990-10-31 | — | — | EP | disclosed |