⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24691736 | 0.67 | — | — | |
| SCHEMBL4653003 | 0.66 | TSHR (0.33) | — | |
| SCHEMBL21510144 | 0.64 | — | — | |
| SCHEMBL8209821 | 0.63 | TSHR (0.31) | — | |
| SCHEMBL18944357 | 0.61 | CA1 (0.31) | — | |
| SCHEMBL20674973 | 0.61 | CTSD (0.36) | — | |
| SCHEMBL18458867 | 0.60 | — | — | |
| SCHEMBL21694891 | 0.58 | — | — | |
| SCHEMBL21515791 | 0.57 | — | — | |
| SCHEMBL22995125 | 0.57 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018069863-A1 | 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS | GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) | 2018-04-19 | — | — | WO | disclosed |