⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5010015 | 0.81 | — | — | |
| SCHEMBL3193292 | 0.81 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL3185943 | 0.80 | — | — | |
| SCHEMBL2852180 | 0.80 | GAA (0.34) | — | |
| SCHEMBL5006781 | 0.79 | MMP1 (0.31) | — | |
| SCHEMBL3178240 | 0.78 | KDM4E (0.36) | — | |
| SCHEMBL4704780 | 0.77 | ALDH1A1 (0.46) | — | |
| SCHEMBL5007617 | 0.75 | IKBKB (0.32) | — | |
| SCHEMBL12095202 | 0.72 | — | — | |
| SCHEMBL111468 | 0.72 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1451160-B1 | PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN | ICAGEN INC (US) | 2010-01-13 | — | — | EP | disclosed |
| US-20080064690-A1 | PYRAZOLE-AMIDES AND -SULFONAMIDES | ICAGEN, INC. (US) | 2008-03-13 | — | — | US | disclosed |
| US-7223782-B2 | Pyrazole-amides and -sulfonamides | ICAGEN, INC. (US) | 2007-05-29 | — | — | US | disclosed |
| US-20050049237-A1 | Pyrazole-amides and -sulfonamides | ICAGEN, INC. (US) | 2005-03-03 | — | — | US | disclosed |