⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5578043 | 0.81 | — | — | |
| SCHEMBL3224786 | 0.55 | — | — | |
| SCHEMBL8776965 | 0.54 | — | — | |
| SCHEMBL23829118 | 0.47 | PDPK1 (0.32) | — | |
| Carbamic Acid SCHEMBL1149445 | 0.46 | — | — | |
| Carbamic Acid SCHEMBL6019094 | 0.45 | CYP1A2 (0.55) | — | |
| Carbamic Acid SCHEMBL21315591 | 0.45 | CYP1A2 (0.55) | — | |
| Carbamic Acid SCHEMBL63902 | 0.45 | CYP1A2 (0.55) | — | |
| Carbamic Acid SCHEMBL75781 | 0.42 | — | — | |
| Carbamic Acid SCHEMBL4456232 | 0.42 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1966222-A2 | PYRAZOLOTHIAZOLE PROTEIN KINASE MODULATORS | SGX Pharmaceuticals, Inc. (US) | 2008-09-10 | — | — | EP | disclosed |
| US-20070173488-A1 | Pyrazolothiazole Protein Kinase Modulators | SGX PHARMACEUTICALS, INC. (US) | 2007-07-26 | — | — | US | disclosed |
| WO-2007059341-A2 | PYRAZOLOTHIAZOLE PROTEIN KINASE MODULATORS | SGX PHARMACEUTICALS, INC. (US) | 2007-05-24 | — | — | WO | disclosed |