⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14616103 | 0.67 | — | — | |
| SCHEMBL12656351 | 0.67 | — | — | |
| SCHEMBL21028702 | 0.67 | — | — | |
| SCHEMBL6361146 | 0.67 | — | — | |
| SCHEMBL18313340 | 0.67 | — | — | |
| SCHEMBL24084219 | 0.66 | — | — | |
| SCHEMBL23453041 | 0.65 | — | — | |
| SCHEMBL9479965 | 0.65 | — | — | |
| SCHEMBL1537305 | 0.65 | — | — | |
| SCHEMBL726626 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20150342954-A1 | 2-BENZYL, 3-(PYRIMIDIN-2-YL) SUBSTITUTED PYRAZOLES USEFUL AS SGC STIMULATORS | IRONWOOD PHARMACEUTICALS, INC. (US) | 2015-12-03 | — | — | US | disclosed |
| US-9139564-B2 | 2-benzyl, 3-(pyrimidin-2-yl) substituted pyrazoles useful as sGC stimulators | IRONWOOD PHARMACEUTICALS, INC. (US) | 2015-09-22 | — | — | US | disclosed |