⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5682007 | 0.91 | PTGS2 (0.32) | — | |
| SCHEMBL5678015 | 0.81 | SMN1; SMN2 (0.46) | — | |
| SCHEMBL5678098 | 0.81 | DYRK1A (0.38) | — | |
| SCHEMBL5678034 | 0.74 | PTGDR2 (0.34) | — | |
| SCHEMBL7778328 | 0.72 | ADORA2A (0.34) | — | |
| SCHEMBL905694 | 0.71 | ADORA2A (0.33) | — | |
| SCHEMBL5682015 | 0.70 | SLC22A12 (0.32) | — | |
| SCHEMBL7779507 | 0.70 | SLC22A12 (0.32) | — | |
| SCHEMBL5678114 | 0.70 | DPP7 (0.34) | — | |
| SCHEMBL7772318 | 0.70 | NLRP3 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1129078-B1 | INDAZOLE DERIVATIVES WITH 5-HT2 RECEPTOR ACTIVITY | VERNALIS RES LTD (GB) | 2006-03-15 | — | — | EP | disclosed |
| US-6552062-B1 | For therapy of central nervous system disorders; damage to the central nervous system; cardiovascular disorders; gastrointestinal disorders; diabetes insipidus, and sleep apnea, and obesity | VERNALIS RESEARCH LIMITED (GB) | 2003-04-22 | — | — | US | disclosed |