⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15739872 | 0.76 | KDM2B (0.35) | — | |
| SCHEMBL17308195 | 0.76 | KDM2B (0.35) | — | |
| SCHEMBL17306142 | 0.73 | MAP3K12 (0.32) | — | |
| SCHEMBL24854323 | 0.71 | KDM2B (0.30) | — | |
| SCHEMBL15806952 | 0.70 | MAP3K12 (0.33) | — | |
| SCHEMBL24854786 | 0.69 | TBK1 (0.31) | — | |
| SCHEMBL24854339 | 0.69 | KAT2B (0.32) | — | |
| SCHEMBL15739770 | 0.67 | MAP3K12 (0.34) | — | |
| SCHEMBL14528879 | 0.67 | HRH3 (0.36) | — | |
| SCHEMBL25091210 | 0.65 | KDM2B (0.31) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2015187684-A1 | TANK-BINDING KINASE INHIBITOR COMPOUNDS | GILEAD SCIENCES, INC. (US) | 2015-12-10 | — | — | WO | disclosed |