⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3212736 | 0.72 | — | — | |
| SCHEMBL4566429 | 0.69 | PTPN7 (0.43) | — | |
| SCHEMBL15080696 | 0.69 | — | — | |
| SCHEMBL16205895 | 0.69 | — | — | |
| SCHEMBL3281294 | 0.68 | PTPN7 (0.47) | — | |
| SCHEMBL7782 | 0.67 | — | — | |
| SCHEMBL14986454 | 0.67 | — | — | |
| SCHEMBL1894280 | 0.64 | — | — | |
| SCHEMBL7109 | 0.64 | — | — | |
| SCHEMBL31122211 | 0.60 | ALDH1A1 (0.39) | — |
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-8207337-B2 | Reagent for organic synthesis reaction containing organic triol borate salt | WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) | 2012-06-26 | — | — | US | disclosed |
| US-20100087646-A1 | REAGENT FOR ORGANIC SYNTHESIS REACTION CONTAINING ORGANIC TRIOL BORATE SALT | WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) | 2010-04-08 | — | — | US | disclosed |
| US-7220771-B2 | Methods of using indazole derivatives as JNK inhibitors | SIGNAL PHARMACEUTICALS, LLC (US) | 2007-05-22 | — | — | US | disclosed |