⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL175260 | 0.81 | — | — | |
| SCHEMBL4788922 | 0.71 | DUT (0.50) | — | |
| SCHEMBL4448355 | 0.70 | — | — | |
| SCHEMBL4101771 | 0.65 | DBH (0.62) | — | |
| SCHEMBL11277406 | 0.65 | — | — | |
| SCHEMBL1306115 | 0.63 | PDE4B (0.32) | — | |
| SCHEMBL4122303 | 0.61 | POLB (0.47) | — | |
| SCHEMBL31087986 | 0.60 | CYP1A2 (0.50) | — | |
| SCHEMBL2559163 | 0.60 | KDM4E (0.50) | — | |
| SCHEMBL6714052 | 0.60 | TK1 (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 |
|---|---|---|---|---|---|---|---|
| US-20100286191-A1 | 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators | MERCK SHARP & DOHME CORP. | 2010-11-11 | — | — | US | disclosed |