⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18535640 | 0.83 | SLC6A3 (0.32) | — | |
| SCHEMBL24233701 | 0.81 | ACHE (0.34) | — | |
| SCHEMBL12201932 | 0.80 | — | — | |
| SCHEMBL10000914 | 0.79 | — | — | |
| SCHEMBL3436802 | 0.77 | — | — | |
| SCHEMBL2743276 | 0.75 | — | — | |
| SCHEMBL8230672 | 0.75 | — | — | |
| SCHEMBL13270430 | 0.75 | — | — | |
| Iodide SCHEMBL28581484 | 0.73 | — | — | |
| SCHEMBL26342535 | 0.72 | ATM (0.32) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170037042-A1 | SUBSTITUTED 2-(CHROMAN-6-YLOXYL)-THIAZOLES AND THEIR USE AS PHARMACEUTICALS | SANOFI SA (FR) | 2017-02-09 | — | — | US | disclosed |
| US-8552186-B2 | Fused bicyclic derivatives of 2,4-diaminopyrimidine as ALK and c-MET inhibitors | CEPHALON, INC. (US) | 2013-10-08 | — | — | US | disclosed |
| US-20120165519-A1 | Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors | CEPHALON, INC. (US) | 2012-06-28 | — | — | US | disclosed |
| US-8148391-B2 | Fused bicyclic derivatives of 2,4-diaminopyrimidine as ALK and c-Met inhibitors | CEPHALON, INC. (US) | 2012-04-03 | — | — | US | disclosed |