⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19007308 | 0.78 | — | — | |
| SCHEMBL18215478 | 0.78 | — | — | |
| SCHEMBL14899506 | 0.78 | — | — | |
| SCHEMBL25582157 | 0.75 | — | — | |
| SCHEMBL684683 | 0.70 | — | — | |
| SCHEMBL762400 | 0.70 | — | — | |
| SCHEMBL24733124 | 0.67 | — | — | |
| SCHEMBL14274143 | 0.67 | — | — | |
| SCHEMBL15244191 | 0.67 | — | — | |
| SCHEMBL23097566 | 0.67 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3131896-B1 | FACTOR IXA INHIBITORS | MERCK SHARP & DOHME (US) | 2019-01-30 | — | — | EP | disclosed |
| US-8318740-B2 | Compounds for protein kinase inhibition | WU ZHANGGUI (US) | 2012-11-27 | — | — | US | disclosed |
| US-8232302-B2 | Thiazoles and oxazoles useful as modulators of ATP-binding cassette transporters | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-07-31 | — | — | US | disclosed |
| US-20110144123-A1 | Thiazoles and Oxazoles Useful as Modulators of ATP-Binding Cassette Transporters | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-06-16 | — | — | US | disclosed |
| US-20090275585-A1 | Novel Compounds and Therapeutic Use Thereof for Protein Kinase Inhibition | WU ZHANGGUI | 2009-11-05 | — | — | US | disclosed |