⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21263656 | 0.79 | NOS2 (0.44) | — | |
| SCHEMBL2976691 | 0.78 | — | — | |
| SCHEMBL3103249 | 0.76 | — | — | |
| SCHEMBL24866428 | 0.73 | AKT2 (0.44) | — | |
| SCHEMBL292535 | 0.72 | — | — | |
| SCHEMBL14638428 | 0.71 | — | — | |
| SCHEMBL16032434 | 0.71 | — | — | |
| SCHEMBL24093930 | 0.71 | — | — | |
| SCHEMBL23732868 | 0.71 | — | — | |
| SCHEMBL28229251 | 0.70 | — | — |
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-2501236-A1 | COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR | Plexxikon, Inc. (US) | 2012-09-26 | — | — | EP | disclosed |
| WO-2011063159-A1 | COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR | PLEXXIKON, INC. (US) | 2011-05-26 | — | — | WO | disclosed |