⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4762521 | 0.81 | — | — | |
| SCHEMBL4447177 | 0.60 | — | — | |
| SCHEMBL60511 | 0.60 | — | — | |
| Tetrafluoroethylene SCHEMBL19133726 | 0.58 | — | — | |
| SCHEMBL12824701 | 0.58 | — | — | |
| SCHEMBL6018596 | 0.57 | — | — | |
| SCHEMBL22971832 | 0.56 | — | — | |
| SCHEMBL13772912 | 0.55 | — | — | |
| SCHEMBL13169118 | 0.53 | — | — | |
| SCHEMBL4444369 | 0.49 | — | — |
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-20120122840-A1 | COMPOUNDS AND THERAPEUTIC USES THEREOF | MYREXIS, INC. (US) | 2012-05-17 | — | — | US | disclosed |