⚠ 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 | |
|---|---|---|---|---|
| Ethane SCHEMBL27807574 | 0.83 | — | — | |
| SCHEMBL31252729 | 0.82 | — | — | |
| SCHEMBL1288 | 0.82 | — | — | |
| Methyl Alcohol SCHEMBL28042552 | 0.77 | — | — | |
| Carbon Tetrachloride SCHEMBL28396589 | 0.77 | — | — | |
| Methylamine SCHEMBL11408480 | 0.77 | — | — | |
| SCHEMBL31391248 | 0.77 | — | — | |
| Phosphine SCHEMBL8944186 | 0.73 | — | — | |
| SCHEMBL1005186 | 0.73 | — | — | |
| SCHEMBL2132857 | 0.73 | — | — |
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-105814049-B | Fused tricyclic imdazole derivatives as TNF active regulator | UCB生物制药私人有限公司 | 2019-03-12 | — | — | CN | disclosed |
| CN-104470924-B | Imidazopyrazines derivant as TNF active regulator | UCB生物制药私人有限公司 | 2016-11-09 | — | — | CN | disclosed |
| CN-104395298-A | Fused heterocyclic compound | SUMITOMO CHEMICAL CO | 2015-03-04 | — | — | CN | disclosed |