⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3089395 | 1.00 | — | — | |
| SCHEMBL3801867 | 0.65 | — | — | |
| SCHEMBL1022993 | 0.65 | — | — | |
| SCHEMBL14751235 | 0.65 | — | — | |
| SCHEMBL13732301 | 0.65 | — | — | |
| SCHEMBL11867885 | 0.65 | — | — | |
| SCHEMBL13732300 | 0.65 | — | — | |
| SCHEMBL5624108 | 0.63 | — | — | |
| SCHEMBL18338701 | 0.63 | — | — | |
| SCHEMBL11292869 | 0.58 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100227872-A1 | PYRAZINE DERIVATIVES | KEMP MARK IAN | 2010-09-09 | — | — | US | disclosed |
| EP-2155727-A1 | N-[6-AMINO-5-(PHENYL)PYRAZIN-2-YL]-ISOXAZOLE-4-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS NAV1.8 CHANNEL MODULATORS FOR THE TREATMENT OF PAIN | Pfizer Limited (GB) | 2010-02-24 | — | — | EP | disclosed |
| WO-2008135830-A1 | N- [6-AMINO-S- (PHENYL) PYRAZIN-2-YL] -ISOXAZOLE-4-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS NAV1.8 CHANNEL MODULATORS FOR THE TREATMENT OF PAIN | PFIZER LIMITED (GB) | 2008-11-13 | — | — | WO | disclosed |