⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5572028 | 0.61 | CCR1 (0.32) | — | |
| SCHEMBL2498726 | 0.57 | CHRNB2 (0.33) | — | |
| SCHEMBL5255304 | 0.48 | — | — | |
| SCHEMBL12217185 | 0.44 | — | — | |
| SCHEMBL2897796 | 0.44 | — | — | |
| SCHEMBL1781988 | 0.44 | — | — | |
| SCHEMBL3688203 | 0.44 | — | — | |
| SCHEMBL27530 | 0.43 | — | — | |
| SCHEMBL157501 | 0.34 | — | — | |
| SCHEMBL7643001 | 0.32 | NOS1 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2217606-A1 | SOLUBILIZED THIAZOLOPYRIDINES | Sirtris Pharmaceuticals, Inc. (US) | 2010-08-18 | — | — | EP | disclosed |
| WO-2009061453-A1 | SOLUBILIZED THIAZOLOPYRIDINES | SIRTRIS PHARMACEUTICALS, INC. (US) | 2009-05-14 | — | — | WO | disclosed |