⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14799259 | 1.00 | — | — | |
| SCHEMBL16268462 | 0.75 | HTT (0.44) | — | |
| SCHEMBL16274089 | 0.75 | HTT (0.44) | — | |
| SCHEMBL17702650 | 0.75 | HTT (0.44) | — | |
| SCHEMBL9740100 | 0.75 | — | — | |
| SCHEMBL9740105 | 0.75 | — | — | |
| SCHEMBL31621900 | 0.74 | NOS1 (0.37) | — | |
| SCHEMBL7631294 | 0.74 | TSHR (0.47) | — | |
| SCHEMBL16268882 | 0.74 | TSHR (0.47) | — | |
| SCHEMBL14799318 | 0.72 | NPC1 (0.44) | — |
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-8999956-B2 | N-[(het)arylalkyl)] pyrazole(thio)carboxamides and their heterosubstituted analogues | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2015-04-07 | — | — | US | disclosed |
| EP-2576517-B1 | N-[(HET)ARYLALKYL)]PYRAZOLE (THIO)CARBOXAMIDES AND THEIR HETEROSUBSTITUTED ANALOGUES | BAYER IP GMBH (DE) | 2014-12-17 | — | — | EP | disclosed |
| EP-2576517-A1 | N-[(HET)ARYLALKYL)]PYRAZOLE (THIO)CARBOXAMIDES AND THEIR HETEROSUBSTITUTED ANALOGUES | Bayer Cropscience AG (DE) | 2013-04-10 | — | — | EP | disclosed |
| US-20130079302-A1 | N-[(HET)ARYLALKYL)] PYRAZOLE(THIO)CARBOXAMIDES AND THEIR HETEROSUBSTITUTED ANALOGUES | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2013-03-28 | — | — | US | disclosed |
| WO-2011151370-A1 | N-[(HET)ARYLALKYL)] PYRAZOLE (THIO)CARBOXAMIDES AND THEIR HETEROSUBSTITUTED ANALOGUES | BAYER CROPSCIENCE AG (DE) | 2011-12-08 | — | — | WO | disclosed |