⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5441847 | 0.78 | NPC1 (0.38) | — | |
| SCHEMBL19502832 | 0.77 | CA12 (0.31) | — | |
| SCHEMBL15085567 | 0.74 | DPP4 (0.46) | — | |
| SCHEMBL5441443 | 0.74 | — | — | |
| SCHEMBL11607084 | 0.72 | — | — | |
| SCHEMBL2917861 | 0.72 | — | — | |
| SCHEMBL7095798 | 0.71 | — | — | |
| SCHEMBL5459979 | 0.71 | — | — | |
| SCHEMBL293056 | 0.71 | — | — | |
| SCHEMBL329191 | 0.70 | — | — |
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-20070161633-A1 | 4-Bromo-5-(2-chloro-benzoylamino)-1h-pyrazole-3-carboxylic acid (1-aminocarbonyl)eth-1-yl) amide derivatives and related compounds as bradykinin b1 receptor antagonists for the treatment of inflammatory diseases | ELAN PHARMACEUTICALS, INC. (US) | 2007-07-12 | — | — | US | claimed |
| US-20070161633-A1 | 4-Bromo-5-(2-chloro-benzoylamino)-1h-pyrazole-3-carboxylic acid (1-aminocarbonyl)eth-1-yl) amide derivatives and related compounds as bradykinin b1 receptor antagonists for the treatment of inflammatory diseases | ELAN PHARMACEUTICALS, INC. (US) | 2007-07-12 | — | — | US | disclosed |