⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20962995 | 0.68 | — | — | |
| SCHEMBL22701432 | 0.65 | — | — | |
| SCHEMBL17298356 | 0.65 | — | — | |
| SCHEMBL14307306 | 0.65 | — | — | |
| SCHEMBL21037686 | 0.63 | — | — | |
| SCHEMBL21401736 | 0.61 | — | — | |
| SCHEMBL20962975 | 0.60 | — | — | |
| SCHEMBL14014006 | 0.60 | — | — | |
| SCHEMBL24885641 | 0.60 | — | — | |
| SCHEMBL13590080 | 0.60 | — | — |
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 |