⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14493261 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL10898248 | 0.70 | — | — | |
| SCHEMBL22672903 | 0.65 | — | — | |
| SCHEMBL21422787 | 0.65 | TSHR (0.31) | — | |
| SCHEMBL1325066 | 0.61 | — | — | |
| SCHEMBL28676375 | 0.61 | — | — | |
| SCHEMBL14493236 | 0.58 | — | — | |
| SCHEMBL19648459 | 0.58 | FAAH (0.31) | — | |
| SCHEMBL13049966 | 0.57 | — | — | |
| SCHEMBL331339 | 0.57 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007068822-A2 | SULPHONYL-1,2,4-TRIAZOLE SALTS | PHOSTECH LITHIUM INC. (CA) | 2007-06-21 | — | — | WO | disclosed |