⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL962756 | 1.00 | — | — | |
| SCHEMBL17350807 | 0.85 | FFAR3 (0.32) | — | |
| SCHEMBL962098 | 0.82 | RXRA (0.31) | — | |
| SCHEMBL17350521 | 0.75 | — | — | |
| SCHEMBL3288033 | 0.74 | FFAR3 (0.36) | — | |
| SCHEMBL16778358 | 0.74 | FFAR3 (0.36) | — | |
| SCHEMBL17350699 | 0.67 | KDM4E (0.31) | — | |
| SCHEMBL436255 | 0.64 | — | — | |
| SCHEMBL667532 | 0.64 | — | — | |
| SCHEMBL667531 | 0.64 | — | — |
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 2 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-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 |