⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8633562 | 0.77 | — | — | |
| SCHEMBL8629133 | 0.75 | — | — | |
| SCHEMBL8673425 | 0.75 | MEN1 (0.36) | — | |
| SCHEMBL8598203 | 0.73 | — | — | |
| SCHEMBL8600108 | 0.73 | MAPT (0.31) | — | |
| SCHEMBL8601977 | 0.71 | SQOR (0.39) | — | |
| SCHEMBL7552366 | 0.71 | NPC1 (0.43) | — | |
| SCHEMBL7552360 | 0.71 | NPC1 (0.43) | — | |
| SCHEMBL8599926 | 0.71 | NPC1 (0.43) | — | |
| SCHEMBL8599923 | 0.71 | NPC1 (0.43) | — |
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 |