⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28059174 | 0.98 | DYRK3 (0.30) | — | |
| SCHEMBL27511861 | 0.87 | ADRB2 (0.36) | — | |
| SCHEMBL28246012 | 0.64 | NISCH (0.33) | — | |
| Water SCHEMBL28082078 | 0.63 | NISCH (0.33) | — | |
| SCHEMBL11290984 | 0.61 | — | — | |
| SCHEMBL8522093 | 0.61 | NPY5R (0.32) | — | |
| SCHEMBL28080153 | 0.60 | F2RL1 (0.31) | — | |
| SCHEMBL9070322 | 0.59 | CHKA (0.33) | — | |
| Water SCHEMBL28208631 | 0.59 | — | — | |
| SCHEMBL27871849 | 0.59 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105814041-A | Benzotriazole derivatives as modulators of TNF activity | UCB生物制药私人有限公司 | 2016-07-27 | — | — | CN | disclosed |
| CN-105814056-A | Purine derivatives as modulators of TNF activity | UCB生物制药私人有限公司 | 2016-07-27 | — | — | CN | disclosed |