⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9135019 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL1068710 | 0.76 | SPHK2 (0.33) | — | |
| Hydrochloric Acid SCHEMBL11760779 | 0.76 | SPHK2 (0.39) | — | |
| SCHEMBL16795994 | 0.74 | SPHK2 (0.32) | — | |
| SCHEMBL1030177 | 0.74 | — | — | |
| SCHEMBL8055243 | 0.69 | — | — | |
| SCHEMBL12341240 | 0.68 | SPHK2 (0.48) | — | |
| SCHEMBL19073498 | 0.68 | SPHK2 (0.42) | — | |
| SCHEMBL1030176 | 0.68 | — | — | |
| SCHEMBL12341237 | 0.67 | SPHK2 (0.52) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105814049-A | Fused tricyclic imidazole derivatives as modulators of TNF activity | UCB生物制药私人有限公司 | 2016-07-27 | — | — | CN | disclosed |