⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1478438 | 0.83 | — | — | |
| Malonic Acid SCHEMBL5186878 | 0.76 | LDHA (0.69) | — | |
| SCHEMBL819956 | 0.73 | LDHA (0.53) | — | |
| SCHEMBL28934980 | 0.73 | LDHA (0.53) | — | |
| SCHEMBL5161389 | 0.73 | — | — | |
| SCHEMBL10391174 | 0.71 | LDHA (0.50) | — | |
| SCHEMBL180823 | 0.71 | — | — | |
| SCHEMBL37772 | 0.71 | LDHA (0.50) | — | |
| SCHEMBL31290754 | 0.71 | MGAM (0.58) | — | |
| SCHEMBL2587467 | 0.71 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7534908-B2 | Method for the production of optically active 3-alkylcarboxylic acids and the intermediate products thereof | WACKER CHEMIE AG (DE) | 2009-05-19 | — | — | US | disclosed |
| US-20070225519-A1 | Method for the Production of Optically Active 3-Alkyl Carboxylic Acids and the Intermediate Products Thereof | CONSORTIUM FUER ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) | 2007-09-27 | — | — | US | disclosed |
| WO-2006090377-A1 | ONE-POT NON-SYMMETRIC HETEROBIFUNCTIONAL COUPLING OF ORGANIC MOLECULES THROUGH MALONIC ACID DERIVATIVES | YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) | 2006-08-31 | — | — | WO | disclosed |