⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3046597 | 0.87 | PPARD (0.37) | — | |
| Methyl Alcohol SCHEMBL29130741 | 0.84 | PPARD (0.36) | — | |
| Hydrochloric Acid SCHEMBL3046326 | 0.84 | PPARD (0.36) | — | |
| SCHEMBL1085395 | 0.80 | TSHR (0.43) | — | |
| SCHEMBL28380513 | 0.78 | — | — | |
| SCHEMBL27567748 | 0.78 | FDPS (0.41) | — | |
| SCHEMBL946876 | 0.76 | — | — | |
| Propane SCHEMBL4629637 | 0.75 | CA2 (0.35) | — | |
| SCHEMBL9750415 | 0.75 | PPARD (0.34) | — | |
| SCHEMBL1573318 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-103342718-B | A kind of 3-(methyl alkoxy phosphoryl) preparation method of propionic acid ester compound | CHONGQING UNISPLENDOUR CHEMICAL CO., LTD. (CN) | 2016-02-03 | — | — | CN | disclosed |
| CN-103342718-A | Method for preparing 3-(methyl alkoxy phosphoryl group) propionate compound | CHONGQING UNISPLENDOUR CHEM CO | 2013-10-09 | — | — | CN | disclosed |
| CN-101665514-A | Preparation method of 3-(methyl alkoxy phosphoryl) propionic acid ester compound | LIER CHEMICAL CO LTD | 2010-03-10 | — | — | CN | disclosed |