⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10802435 | 0.81 | — | — | |
| SCHEMBL4756048 | 0.77 | CHRM2 (0.46) | — | |
| SCHEMBL208394 | 0.73 | — | — | |
| SCHEMBL24355143 | 0.69 | — | — | |
| SCHEMBL1004994 | 0.69 | — | — | |
| SCHEMBL14163182 | 0.68 | — | — | |
| SCHEMBL9797415 | 0.67 | — | — | |
| SCHEMBL7192789 | 0.67 | — | — | |
| SCHEMBL2629458 | 0.67 | — | — | |
| SCHEMBL14910939 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7625915-B2 | Inhibition of RAF kinase using aryl and heteroaryl substituted heterocyclic ureas | BAYER HEALTHCARE LLC (US) | 2009-12-01 | — | — | US | disclosed |
| US-20080009527-A1 | INHIBITION OF RAF KINASE USING ARYL AND HETEROARYL SUBSTITUTED HETEROCYCLIC UREAS | BAYER HEALTHCARE LLC | 2008-01-10 | — | — | US | disclosed |
| US-20050187390-A1 | Bicyclic heteroaryl derivatives | GENELABS TECHNOLOGIES, INC. | 2005-08-25 | — | — | US | disclosed |
| EP-0110411-B1 | PROCESS FOR CARRYING OUT ORGANIC CONDENSATION REACTIONS | BASF Aktiengesellschaft (DE) | 1986-04-09 | — | — | EP | disclosed |
| EP-0110411-A1 | Process for carrying out organic condensation reactions | BASF Aktiengesellschaft (DE) | 1984-06-13 | — | — | EP | disclosed |