⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20064042 | 0.67 | — | — | |
| SCHEMBL15353373 | 0.52 | HDAC4 (0.41) | — | |
| SCHEMBL16789827 | 0.52 | PDE10A (0.42) | — | |
| SCHEMBL7193572 | 0.49 | PDE10A (0.45) | — | |
| SCHEMBL10407217 | 0.49 | PDE10A (0.45) | — | |
| SCHEMBL8052575 | 0.49 | PDE10A (0.45) | — | |
| SCHEMBL1606546 | 0.48 | — | — | |
| SCHEMBL10120858 | 0.48 | DHFR (0.40) | — | |
| SCHEMBL10407654 | 0.48 | HSP90AA1 (0.35) | — | |
| SCHEMBL1713163 | 0.47 | HDAC4 (0.38) | — |
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 |