⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11617844 | 0.84 | — | — | |
| SCHEMBL10796796 | 0.81 | — | — | |
| SCHEMBL1223422 | 0.80 | ALDH1A1 (0.30) | — | |
| SCHEMBL8573051 | 0.78 | — | — | |
| SCHEMBL1200798 | 0.73 | LMNA (0.33) | — | |
| SCHEMBL1222817 | 0.73 | — | — | |
| SCHEMBL63001 | 0.73 | — | — | |
| SCHEMBL8466780 | 0.70 | ALDH1A1 (0.30) | — | |
| SCHEMBL1899388 | 0.70 | LMNA (0.39) | — | |
| SCHEMBL8674930 | 0.70 | — | — |
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-5756869-A | Method of preparing hydrofluorocarbon | CENTRAL GLASS COMPANY LIMITED (JP) | 1998-05-26 | — | — | US | disclosed |