⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4671650 | 0.82 | ALDH1A1 (0.44) | — | |
| SCHEMBL479385 | 0.73 | — | — | |
| SCHEMBL28497210 | 0.73 | — | — | |
| SCHEMBL9420102 | 0.72 | — | — | |
| SCHEMBL2384877 | 0.72 | ALDH1A1 (0.41) | — | |
| SCHEMBL11677789 | 0.71 | ALDH1A1 (0.35) | — | |
| SCHEMBL28291355 | 0.70 | — | — | |
| Potassium SCHEMBL31370905 | 0.70 | — | — | |
| SCHEMBL3748077 | 0.70 | — | — | |
| SCHEMBL8341750 | 0.67 | — | — |
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-7208613-B2 | Synthesis of s-fluoromethyl 6α,9α-difluoro-11β-hydroxy-16α-methyl-17α-propionyloxy-3-oxoandrosta-1,4-diene-17β-carbothioate | SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) | 2007-04-24 | — | — | US | disclosed |