⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28106912 | 0.87 | KDM4E (0.33) | — | |
| SCHEMBL28056934 | 0.82 | ELANE (0.30) | — | |
| SCHEMBL14690922 | 0.75 | — | — | |
| SCHEMBL15184081 | 0.73 | — | — | |
| SCHEMBL27830203 | 0.73 | KDM4E (0.32) | — | |
| Hydrochloric Acid SCHEMBL28213669 | 0.73 | — | — | |
| SCHEMBL14690356 | 0.73 | — | — | |
| SCHEMBL19751260 | 0.72 | ADORA3 (0.32) | — | |
| SCHEMBL28831187 | 0.72 | — | — | |
| SCHEMBL23675666 | 0.71 | CHRM2 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105764903-A | Tetracyclic autotaxin inhibitors | 法玛克亚公司 | 2016-07-13 | — | — | CN | disclosed |