⚠ 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 | 0.76 | — | — | |
| SCHEMBL8626236 | 0.75 | — | — | |
| SCHEMBL8671534 | 0.75 | MEN1 (0.35) | — | |
| SCHEMBL8600277 | 0.74 | KDM4E (0.31) | — | |
| SCHEMBL8597633 | 0.73 | — | — | |
| SCHEMBL8604072 | 0.72 | CYP2D6 (0.40) | — | |
| SCHEMBL7561123 | 0.72 | CYP2D6 (0.40) | — | |
| SCHEMBL7554326 | 0.72 | CYP2D6 (0.36) | — | |
| SCHEMBL8600851 | 0.72 | — | — | |
| SCHEMBL8601985 | 0.72 | SQOR (0.38) | — |
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 |