⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8603587 | 0.84 | — | — | |
| SCHEMBL8600308 | 0.84 | PTAFR (0.32) | — | |
| SCHEMBL8599583 | 0.80 | PIK3CD (0.30) | — | |
| SCHEMBL8598378 | 0.80 | PTAFR (0.33) | — | |
| SCHEMBL8600729 | 0.79 | KDM4E (0.32) | — | |
| SCHEMBL8599873 | 0.74 | CHRNB2 (0.33) | — | |
| SCHEMBL8600854 | 0.73 | CYP1A2 (0.34) | — | |
| SCHEMBL7549802 | 0.73 | RARB (0.36) | — | |
| SCHEMBL8601971 | 0.73 | RAB9A (0.35) | — | |
| SCHEMBL8568393 | 0.72 | CNR2 (0.40) | — |
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 |