⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4752791 | 0.81 | — | — | |
| Carbamic Acid SCHEMBL1149445 | 0.45 | — | — | |
| Carbamic Acid SCHEMBL2564971 | 0.41 | ACHE (1.00) | — | |
| Carbamic Acid SCHEMBL8512703 | 0.41 | ACHE (1.00) | — | |
| Carbamic Acid SCHEMBL5048206 | 0.41 | ACHE (1.00) | — | |
| Carbamic Acid SCHEMBL4466151 | 0.41 | ACHE (1.00) | — | |
| Carbamic Acid SCHEMBL75781 | 0.41 | — | — | |
| Carbamic Acid SCHEMBL4456232 | 0.41 | ACHE (1.00) | — | |
| Urea SCHEMBL1439370 | 0.41 | — | — | |
| Carbamic Acid SCHEMBL630836 | 0.41 | ACHE (1.00) | — |
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-20070173488-A1 | Pyrazolothiazole Protein Kinase Modulators | SGX PHARMACEUTICALS, INC. (US) | 2007-07-26 | — | — | US | disclosed |