⚠ 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 | 0.69 | GLS (0.32) | — | |
| SCHEMBL21221933 | 0.69 | GLS (0.32) | — | |
| SCHEMBL20064531 | 0.66 | MTOR (0.35) | — | |
| SCHEMBL21228024 | 0.60 | TRPV1 (0.42) | — | |
| SCHEMBL20064586 | 0.58 | TRPV1 (0.38) | — | |
| SCHEMBL20064634 | 0.55 | HTR4 (0.36) | — | |
| SCHEMBL21221924 | 0.55 | MALT1 (0.33) | — | |
| SCHEMBL21221926 | 0.55 | MALT1 (0.33) | — | |
| SCHEMBL20065146 | 0.55 | POLB (0.32) | — | |
| SCHEMBL21222237 | 0.54 | 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 |