⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21221934 | 0.87 | GLS (0.32) | — | |
| SCHEMBL21221933 | 0.87 | GLS (0.32) | — | |
| SCHEMBL20065481 | 0.79 | — | — | |
| SCHEMBL20064396 | 0.75 | NPC1 (0.33) | — | |
| SCHEMBL20064062 | 0.74 | PPARA (0.31) | — | |
| SCHEMBL20064413 | 0.74 | GPBAR1 (0.34) | — | |
| SCHEMBL21221926 | 0.74 | MALT1 (0.33) | — | |
| SCHEMBL21221924 | 0.74 | MALT1 (0.33) | — | |
| SCHEMBL20065560 | 0.72 | — | — | |
| SCHEMBL21222241 | 0.70 | ACKR3 (0.34) | — |
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 |