⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8756189 | 0.56 | — | — | |
| Hydrochloric Acid SCHEMBL11815259 | 0.55 | — | — | |
| SCHEMBL8004943 | 0.45 | — | — | |
| SCHEMBL25143105 | 0.44 | — | — | |
| SCHEMBL1867749 | 0.39 | — | — | |
| SCHEMBL348913 | 0.38 | AHR (0.67) | — | |
| SCHEMBL22863435 | 0.37 | AHR (0.41) | — | |
| SCHEMBL64092 | 0.37 | GAA (1.00) | — | |
| SCHEMBL22983129 | 0.34 | — | — | |
| SCHEMBL17791421 | 0.32 | — | — |
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-2008075007-A1 | MORPHOLINO-SUBSTITUTED BICYCLOHETEROARYL COMPOUNDS AND THEIR USE AS ANTI CANCER AGENTS | CANCER RESEARCH TECHNOLOGY LIMITED (GB) | 2008-06-26 | — | — | WO | disclosed |