⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31667155 | 0.79 | ALDH1A1 (0.31) | — | |
| SCHEMBL27804423 | 0.71 | NPSR1 (0.33) | — | |
| SCHEMBL10102711 | 0.70 | ALDH1A1 (0.44) | — | |
| SCHEMBL12926024 | 0.67 | — | — | |
| SCHEMBL8015644 | 0.67 | — | — | |
| SCHEMBL3524132 | 0.64 | ALDH1A1 (0.32) | — | |
| SCHEMBL31667234 | 0.64 | KDM4E (0.38) | — | |
| SCHEMBL26111728 | 0.64 | KDM4E (0.31) | — | |
| Hydrochloric Acid SCHEMBL27173500 | 0.64 | KDM4E (0.31) | — | |
| SCHEMBL9098719 | 0.62 | GAA (0.33) | — |
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 4 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 |
| CN-107873031-A | Benzoxazinone derivatives and analogs thereof as modulators of TNF activity | UCB生物制药私人有限公司 | 2018-04-03 | — | — | CN | disclosed |