⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8602104 | 0.90 | PTAFR (0.37) | — | |
| SCHEMBL8601722 | 0.87 | MGAM (0.33) | — | |
| SCHEMBL8602735 | 0.86 | PTAFR (0.32) | — | |
| SCHEMBL8598924 | 0.81 | — | — | |
| SCHEMBL7559816 | 0.81 | ALDH1A1 (0.33) | — | |
| SCHEMBL8604574 | 0.81 | ALDH1A1 (0.33) | — | |
| SCHEMBL8602991 | 0.81 | PTAFR (0.32) | — | |
| SCHEMBL8598478 | 0.80 | AAK1 (0.32) | — | |
| SCHEMBL7557671 | 0.80 | RAB9A (0.33) | — | |
| SCHEMBL7557859 | 0.79 | — | — |
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-5779934-A | FLUORINATING AN ALCOHOL DERIVATIVE | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1998-07-14 | — | — | US | disclosed |