⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20138154 | 0.92 | DCK (0.31) | — | |
| SCHEMBL20138009 | 0.85 | NTRK2 (0.30) | — | |
| SCHEMBL20138041 | 0.84 | DCK (0.33) | — | |
| SCHEMBL20138148 | 0.84 | NR1H2 (0.30) | — | |
| SCHEMBL20138004 | 0.84 | NTRK2 (0.30) | — | |
| SCHEMBL20138212 | 0.82 | PRNP (0.33) | — | |
| SCHEMBL20138049 | 0.81 | MEN1 (0.32) | — | |
| SCHEMBL20138044 | 0.80 | — | — | |
| SCHEMBL20138259 | 0.80 | SLC2A1 (0.31) | — | |
| SCHEMBL20138080 | 0.79 | NR1H2 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10287299-B2 | Substituted benzo[b][1,4]oxazines and pyrido[3,2-b][1,4]oxazines as modulators of tumor necrosis factor activity | UCB BIOPHARMA SPRL (BE) | 2019-05-14 | — | — | US | disclosed |
| US-20180134728-A1 | Benzoxazinone Derivatives and Analogues Thereof as Modulators of TNF Activity | UCB S.A. (BE) | 2018-05-17 | — | — | US | disclosed |