⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2382852 | 0.82 | FDPS (0.35) | — | |
| SCHEMBL10678728 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL28994395 | 0.71 | — | — | |
| SCHEMBL104878 | 0.69 | LMNA (0.55) | — | |
| SCHEMBL28703 | 0.69 | — | — | |
| SCHEMBL22249 | 0.69 | — | — | |
| SCHEMBL9830817 | 0.69 | — | — | |
| SCHEMBL13476921 | 0.69 | LMNA (0.55) | — | |
| SCHEMBL11142874 | 0.69 | TSHR (0.42) | — | |
| SCHEMBL5344315 | 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 4 patents. 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 |
| US-20050256325-A1 | Convenient synthesis of s-fluoromethyl 6alpha, 9alpha-difluoro-11beta-hydroxy-16alpha-methyl-17alpha-propionyloxy-3-oxoandrosta-1,4-diene-17beta-carbothioate | SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) | 2005-11-17 | — | — | US | disclosed |
| EP-1534733-A2 | CONVENIENT SYNTHESIS OF S-FLUOROMETHYL 6ALPHA, 9ALPHA-DIFLUORO-11BETA-HYDROXY-16ALPHA- METHYL-17ALPHA-PROPIONYLOXY-3-OXOANDROSTA-1, 4-DIENE-17BETA-CARBOTHIOATE | Sun Pharmaceuticals Industries Ltd. (IN) | 2005-06-01 | — | — | EP | disclosed |
| WO-2004001369-A2 | CONVENIENT SYNTHESIS OF S-FLUOROMETHYL 6ALPHA, 9ALPHA-DIFLUORO-11BETA-HYDROXY-16ALPHA- METHYL-17ALPHA-PROPIONYLOXY-3-OXOANDROSTA-1, 4-DIENE-17BETA-CARBOTHIOATE | SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) | 2003-12-31 | — | — | WO | disclosed |