⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17642631 | 0.81 | CLK2 (0.31) | — | |
| SCHEMBL17642418 | 0.81 | CLK2 (0.31) | — | |
| SCHEMBL31275550 | 0.77 | CHRM2 (0.31) | — | |
| SCHEMBL31275164 | 0.77 | CHRM2 (0.31) | — | |
| SCHEMBL20179833 | 0.77 | GABRA5 (0.34) | — | |
| SCHEMBL17642615 | 0.74 | CLK2 (0.33) | — | |
| SCHEMBL12589480 | 0.74 | CLK2 (0.33) | — | |
| SCHEMBL17665128 | 0.74 | CLK2 (0.33) | — | |
| SCHEMBL18018422 | 0.71 | CLK2 (0.32) | — | |
| SCHEMBL17660641 | 0.69 | CLK2 (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-2016049211-A1 | AMINOTRIAZINE DERIVATIVES USEFUL AS TANK-BINDING KINASE INHIBITOR COMPOUNDS | GILEAD SCIENCES, INC. (US) | 2016-03-31 | — | — | WO | disclosed |