⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19404 | 0.82 | EP300 (0.31) | — | |
| SCHEMBL14055652 | 0.82 | EP300 (0.31) | — | |
| SCHEMBL19405 | 0.82 | EP300 (0.31) | — | |
| SCHEMBL15136270 | 0.79 | — | — | |
| SCHEMBL4296542 | 0.78 | EP300 (0.31) | — | |
| SCHEMBL4296539 | 0.78 | EP300 (0.31) | — | |
| SCHEMBL9836987 | 0.77 | — | — | |
| SCHEMBL1421463 | 0.77 | EP300 (0.37) | — | |
| SCHEMBL1200217 | 0.75 | — | — | |
| SCHEMBL28351379 | 0.75 | — | — |
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-20110009642-A1 | Method for the Regioselective Synthesis of 1-Alkyl-3-haloalkyl-pyrazole-4-carboxylic Acid Derivatives | BAYER CROPSCIENCE AG (DE) | 2011-01-13 | — | — | US | claimed |
| US-8044231-B2 | Method for producing dihalo acetoacetic alkyl esters | BAYER CROPSCIENCE AG (DE) | 2011-10-25 | — | — | US | disclosed |
| US-20110009642-A1 | Method for the Regioselective Synthesis of 1-Alkyl-3-haloalkyl-pyrazole-4-carboxylic Acid Derivatives | BAYER CROPSCIENCE AG (DE) | 2011-01-13 | — | — | US | disclosed |