⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2518874 | 0.68 | GRM5 (0.57) | — | |
| SCHEMBL2556629 | 0.67 | GRM5 (0.35) | — | |
| SCHEMBL2518377 | 0.65 | GRM5 (0.57) | — | |
| SCHEMBL3299891 | 0.64 | PIM1 (0.41) | — | |
| SCHEMBL2516185 | 0.64 | GRM5 (0.51) | — | |
| SCHEMBL12284907 | 0.64 | CRBN (0.31) | — | |
| SCHEMBL14843988 | 0.63 | CHRNB2 (0.43) | — | |
| SCHEMBL30442450 | 0.60 | CHRNB2 (0.56) | — | |
| SCHEMBL2560735 | 0.60 | GRM5 (0.40) | — | |
| SCHEMBL14844014 | 0.59 | GRM5 (0.34) | — |
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-2558457-A1 | ARYLETHYNYL DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2013-02-20 | — | — | EP | disclosed |
| WO-2011128279-A1 | ARYLETHYNYL DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2011-10-20 | — | — | WO | disclosed |