⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28031315 | 1.00 | — | — | |
| SCHEMBL17287590 | 0.98 | CNR1 (0.30) | — | |
| SCHEMBL28031327 | 0.89 | — | — | |
| SCHEMBL17287641 | 0.89 | — | — | |
| SCHEMBL17287737 | 0.89 | — | — | |
| SCHEMBL19856513 | 0.79 | — | — | |
| SCHEMBL17308702 | 0.79 | — | — | |
| SCHEMBL17287837 | 0.70 | — | — | |
| SCHEMBL17287540 | 0.68 | — | — | |
| SCHEMBL17287851 | 0.67 | CNR2 (0.31) | — |
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-9707551-B2 | Reaction catalyst for cross-coupling and method for manufacturing aromatic compound | HOKKO CHEMICAL INDUSTRY CO., LTD. (JP) | 2017-07-18 | — | — | US | disclosed |
| US-20150360214-A1 | REACTION CATALYST FOR CROSS-COUPLING AND METHOD FOR MANUFACTURING AROMATIC COMPOUND | HOKKO CHEMICAL INDUSTRY CO., LTD. (JP) | 2015-12-17 | — | — | US | disclosed |
| EP-2949655-A1 | REACTION CATALYST FOR CROSS COUPLING AND METHOD FOR MANUFACTURING AROMATIC COMPOUND | Hokko Chemical Industry Co., Ltd. (JP) | 2015-12-02 | — | — | EP | disclosed |