⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL703350 | 0.75 | — | — | |
| SCHEMBL332561 | 0.74 | — | — | |
| SCHEMBL17070948 | 0.73 | — | — | |
| SCHEMBL6515585 | 0.72 | NFKB1 (0.32) | — | |
| SCHEMBL705550 | 0.71 | — | — | |
| SCHEMBL4079086 | 0.71 | — | — | |
| SCHEMBL9167538 | 0.71 | — | — | |
| SCHEMBL712759 | 0.71 | — | — | |
| SCHEMBL4077382 | 0.71 | MAPK1 (0.30) | — | |
| SCHEMBL1263819 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20160152642-A1 | FLOURINE-CONTAINING COMPOUND, SUBSTRATE FOR PATTERNING, PHOTODEGRADABLE COUPLING AGENT, PATTERNING METHOD, AND COMPOUND | KANAGAWA UNIVERSITY (JP) | 2016-06-02 | — | — | US | disclosed |