⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5160391 | 0.83 | APOBEC3A (0.34) | — | |
| SCHEMBL5159729 | 0.77 | GAA (0.34) | — | |
| SCHEMBL5164280 | 0.77 | BRD4 (0.33) | — | |
| SCHEMBL5159960 | 0.77 | MGAM (0.44) | — | |
| SCHEMBL5162404 | 0.77 | P2RX7 (0.31) | — | |
| SCHEMBL3013035 | 0.76 | MALT1 (0.33) | — | |
| SCHEMBL4483981 | 0.76 | — | — | |
| SCHEMBL10352034 | 0.75 | FEN1 (0.42) | — | |
| SCHEMBL5163595 | 0.75 | L3MBTL1 (0.35) | — | |
| SCHEMBL5161432 | 0.73 | L3MBTL1 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8293899-B2 | Ketone transfer hydrogenation of stereoisomerically enriched 3-heteroaryl-3-oxocarboxylic esters by reducing 3-heteroaryl-3-hydroxycarboxylic esters in the presence of a ruthenium-containing catalyst, an amine and formic acid and/or formates | LANXESS DEUTSCHLAND GMBH (DE) | 2012-10-23 | — | — | US | disclosed |
| EP-1340746-B1 | Process for the reduction of 3-heteroaryl-3-oxo-propanoic acid derivatives | SALTIGO GMBH (DE) | 2007-02-28 | — | — | EP | disclosed |
| US-20030225274-A1 | Process for reducing 3-heteroaryl-3-oxopropionic acid derivatives | LANXESS DEUTSCHLAND GMBH (DE) | 2003-12-04 | — | — | US | disclosed |
| EP-1340746-A1 | Process for the reduction of 3-heteroaryl-3-oxo-propanoic acid derivatives | BAYER AG (DE) | 2003-09-03 | — | — | EP | disclosed |