⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17620862 | 0.83 | HCAR2 (0.35) | — | |
| SCHEMBL17620675 | 0.76 | SCN9A (0.33) | — | |
| SCHEMBL17620808 | 0.75 | PTPN1 (0.32) | — | |
| SCHEMBL17620673 | 0.75 | FABP4 (0.34) | — | |
| SCHEMBL17620670 | 0.75 | OGFRL1 (0.32) | — | |
| SCHEMBL17620852 | 0.74 | CFTR (0.35) | — | |
| SCHEMBL17620672 | 0.70 | TP53 (0.36) | — | |
| SCHEMBL17620839 | 0.63 | SCN9A (0.36) | — | |
| SCHEMBL17621091 | 0.58 | SCN9A (0.37) | — | |
| SCHEMBL17620972 | 0.56 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10385069-B2 | Imidazo[2,1-B]thiazole and 5,6-dihydroimidazo[2,1-B]thiazole derivatives useful as S100-inhibitors | ACTIVE BIOTECH AB (SE) | 2019-08-20 | — | — | US | disclosed |
| WO-2016042172-A1 | IMIDAZO[2,1-B]THIAZOLE AND 5,6-DIHYDROIMIDAZO[2,1-B]THIAZOLE DERIVATIVES USEFUL AS S100-INHIBITORS | ACTIVE BIOTECH AB (SE) | 2016-03-24 | — | — | WO | disclosed |