⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6281766 | 0.63 | — | — | |
| SCHEMBL3185830 | 0.58 | — | — | |
| SCHEMBL19206780 | 0.56 | — | — | |
| SCHEMBL14441012 | 0.52 | — | — | |
| SCHEMBL3189308 | 0.52 | — | — | |
| SCHEMBL13019178 | 0.47 | — | — | |
| Guanidine SCHEMBL165720 | 0.46 | NOS2 (0.42) | — | |
| Guanidine SCHEMBL5613752 | 0.46 | — | — | |
| Guanidine SCHEMBL29983942 | 0.46 | — | — | |
| Guanidine SCHEMBL11330173 | 0.46 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2274298-A1 | (5R)-1,5-DIARYL-4,5-DIHYDRO-1H-PYRAZOLE-3-CARBOXAMIDINE DERIVATIVES HAVING CB1-ANTAGONISTIC ACTIVITY | Abbott Healthcare Products B.V. (NL) | 2011-01-19 | — | — | EP | disclosed |