⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL188462 | 1.00 | — | — | |
| SCHEMBL918816 | 1.00 | TP53 (0.44) | — | |
| SCHEMBL60935 | 1.00 | — | — | |
| Alanine SCHEMBL15566103 | 0.89 | SLC7A5 (0.42) | — | |
| SCHEMBL7049078 | 0.84 | TP53 (0.33) | — | |
| SCHEMBL4715248 | 0.83 | SMN1; SMN2 (0.38) | — | |
| SCHEMBL6631205 | 0.80 | — | — | |
| SCHEMBL6649754 | 0.76 | TP53 (0.47) | — | |
| SCHEMBL18168769 | 0.76 | TP53 (0.47) | — | |
| SCHEMBL12427680 | 0.76 | TP53 (0.47) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20150218601-A1 | MICROBIOLOGICAL PRODUCTION OF 3-HYDROXYISOBUTYRIC ACID | EVONIK ROEHM GMBH (DE) | 2015-08-06 | — | — | US | disclosed |
| US-8951750-B2 | Malonate decarboxylases for industrial applications | BASF SE (DE) | 2015-02-10 | — | — | US | disclosed |
| CN-101563465-B | Microbial production of 3-hydroxyisobutyric acid | EVONIK ROEHM GMBH | 2013-09-18 | — | — | CN | disclosed |
| US-20100068773-A1 | MICROBIOLOGICAL PRODUCTION OF 3-HYDROXYISOBUTYRIC ACID | EVONIK ROEHM GMBH (DE) | 2010-03-18 | — | — | US | disclosed |
| CN-101563465-A | Microbial production of 3-hydroxyisobutyric acid | EVONIK ROEHM GMBH (DE) | 2009-10-21 | — | — | CN | disclosed |