⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11023540 | 0.85 | ALOX5 (0.53) | — | |
| SCHEMBL5320940 | 0.79 | — | — | |
| SCHEMBL9374822 | 0.79 | ALOX5 (0.46) | — | |
| SCHEMBL11883592 | 0.78 | ALOX5 (0.40) | — | |
| SCHEMBL7576364 | 0.78 | — | — | |
| SCHEMBL5613863 | 0.77 | — | — | |
| SCHEMBL11880486 | 0.77 | — | — | |
| SCHEMBL2048131 | 0.77 | TSHR (0.39) | — | |
| SCHEMBL9768960 | 0.76 | — | — | |
| SCHEMBL11879501 | 0.76 | ALOX5 (0.42) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-100408559-C | 1-alkyl thio-2-methoxy butane compounds and method for preparing same | UNIV BEIJING TECH & BUSINESS (CN) | 2008-08-06 | — | — | CN | claimed |
| CN-1721399-A | 1-alkyl thio-2-methoxy butane compounds and method for preparing same | UNIV BEIJING TECH & BUSINESS (CN) | 2006-01-18 | — | — | CN | claimed |
| CN-100408559-C | 1-alkyl thio-2-methoxy butane compounds and method for preparing same | UNIV BEIJING TECH & BUSINESS (CN) | 2008-08-06 | — | — | CN | disclosed |