⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11503229 | 0.97 | LMNA (0.38) | — | |
| SCHEMBL4086725 | 0.97 | LMNA (0.38) | — | |
| SCHEMBL1130118 | 0.92 | — | — | |
| SCHEMBL30982943 | 0.86 | LMNA (0.47) | — | |
| SCHEMBL3870295 | 0.83 | LMNA (0.53) | — | |
| SCHEMBL1130592 | 0.80 | — | — | |
| SCHEMBL7562156 | 0.80 | LMNA (0.50) | — | |
| SCHEMBL55141 | 0.80 | LMNA (0.50) | — | |
| SCHEMBL8564564 | 0.80 | — | — | |
| SCHEMBL10081324 | 0.80 | LMNA (0.50) | — |
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-2421835-A1 | N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INHIBITORS | Glaxo Group Limited (GB) | 2012-02-29 | — | — | EP | disclosed |
| WO-2010122089-A1 | N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INHIBITORS | GLAXO GROUP LIMITED (GB) | 2010-10-28 | — | — | WO | disclosed |