⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20138164 | 0.84 | TSHR (0.30) | — | |
| SCHEMBL18305093 | 0.82 | NR1H2 (0.31) | — | |
| SCHEMBL20138121 | 0.82 | TSHR (0.35) | — | |
| SCHEMBL20138012 | 0.81 | CYP1A2 (0.33) | — | |
| SCHEMBL20138286 | 0.76 | TSHR (0.35) | — | |
| SCHEMBL20138258 | 0.73 | TSHR (0.31) | — | |
| SCHEMBL20138084 | 0.72 | TSHR (0.35) | — | |
| SCHEMBL20138245 | 0.71 | SLC5A2 (0.31) | — | |
| SCHEMBL20138278 | 0.71 | TSHR (0.35) | — | |
| SCHEMBL20138112 | 0.69 | TSHR (0.34) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107873031-B | Benzoxazinone derivatives and analogs thereof as modulators of TNF activity | UCB生物制药私人有限公司 | 2021-03-12 | — | — | CN | disclosed |
| 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 |