⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2589071 | 0.87 | TSHR (0.48) | — | |
| Hydrochloric Acid SCHEMBL6783166 | 0.85 | TSHR (0.46) | — | |
| SCHEMBL2699709 | 0.81 | — | — | |
| SCHEMBL13397268 | 0.81 | — | — | |
| SCHEMBL11314385 | 0.81 | TSHR (0.42) | — | |
| SCHEMBL11303771 | 0.81 | TSHR (0.42) | — | |
| SCHEMBL11310472 | 0.81 | TSHR (0.42) | — | |
| SCHEMBL2697635 | 0.81 | — | — | |
| SCHEMBL16838735 | 0.81 | — | — | |
| SCHEMBL1236572 | 0.81 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20080280873-A1 | Biaryl Substituted Pyrazinones as Sodium Channel Blockers | MERCK SHARP & DOHME CORP. | 2008-11-13 | — | — | US | disclosed |