⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19801474 | 0.81 | — | — | |
| SCHEMBL22789217 | 0.76 | — | — | |
| SCHEMBL21781728 | 0.76 | — | — | |
| SCHEMBL25706031 | 0.76 | — | — | |
| SCHEMBL15314571 | 0.73 | CHRM2 (0.34) | — | |
| SCHEMBL12210533 | 0.73 | CHRM2 (0.34) | — | |
| SCHEMBL8320351 | 0.73 | CHRM2 (0.34) | — | |
| SCHEMBL3944984 | 0.72 | — | — | |
| SCHEMBL3944983 | 0.72 | — | — | |
| SCHEMBL24003182 | 0.71 | CYP1A2 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3517536-A1 | AMINOTRIAZINE DERIVATIVES USEFUL AS TANK-BINDING KINASE INHIBITOR COMPOUNDS | Gilead Sciences, Inc. (US) | 2019-07-31 | — | — | EP | disclosed |