⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11778463 | 0.73 | — | — | |
| SCHEMBL11778457 | 0.73 | — | — | |
| SCHEMBL986572 | 0.71 | — | — | |
| SCHEMBL13970112 | 0.71 | — | — | |
| SCHEMBL986573 | 0.71 | — | — | |
| SCHEMBL12744738 | 0.71 | — | — | |
| SCHEMBL4155849 | 0.69 | — | — | |
| SCHEMBL12313088 | 0.69 | — | — | |
| SCHEMBL10599054 | 0.69 | — | — | |
| SCHEMBL17084275 | 0.69 | — | — |
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-20130029962-A1 | Substituted Heteroaromatic Pyrazole-Containing Carboxamide and Urea Compounds as Vanilloid Receptor Ligands | GRUENENTHAL GMBH (DE) | 2013-01-31 | — | — | US | disclosed |
| US-20110071141-A1 | Pesticidial Condensed-Ring Aryl Compounds | BAYER CROPSCIENCE AG | 2011-03-24 | — | — | US | disclosed |