⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21221931 | 0.77 | ACKR3 (0.36) | — | |
| SCHEMBL20065092 | 0.77 | ACKR3 (0.36) | — | |
| SCHEMBL21222092 | 0.76 | PDE10A (0.34) | — | |
| SCHEMBL21222438 | 0.76 | SCD (0.45) | — | |
| SCHEMBL20065086 | 0.76 | HSP90AA1 (0.39) | — | |
| SCHEMBL21222089 | 0.76 | PDE10A (0.34) | — | |
| SCHEMBL20065206 | 0.76 | SCD (0.45) | — | |
| SCHEMBL21221944 | 0.76 | HSP90AA1 (0.39) | — | |
| SCHEMBL20064051 | 0.76 | TRPV1 (0.36) | — | |
| SCHEMBL21222327 | 0.75 | USP30 (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 |