⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8299365 | 1.00 | — | — | |
| SCHEMBL17665152 | 1.00 | — | — | |
| SCHEMBL8299348 | 0.81 | CRBN (0.40) | — | |
| SCHEMBL21246443 | 0.78 | — | — | |
| SCHEMBL20457847 | 0.78 | MAOA (0.33) | — | |
| SCHEMBL18358110 | 0.78 | TSHR (0.35) | — | |
| SCHEMBL12395658 | 0.78 | CRBN (0.32) | — | |
| SCHEMBL5987019 | 0.78 | MAOA (0.33) | — | |
| SCHEMBL20457997 | 0.78 | TSHR (0.35) | — | |
| SCHEMBL5759844 | 0.77 | — | — |
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-3517536-B1 | AMINOTRIAZINE DERIVATIVES USEFUL AS TANK-BINDING KINASE INHIBITOR COMPOUNDS | GILEAD SCIENCES INC (US) | 2021-05-05 | — | — | EP | disclosed |
| US-20160096827-A1 | TANK-BINDING KINASE INHIBITOR COMPOUNDS | GILEAD SCIENCES, INC. (US) | 2016-04-07 | — | — | US | disclosed |