⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2501832 | 0.78 | — | — | |
| SCHEMBL28383542 | 0.73 | — | — | |
| SCHEMBL28537311 | 0.73 | — | — | |
| SCHEMBL508434 | 0.73 | — | — | |
| SCHEMBL592132 | 0.71 | — | — | |
| SCHEMBL1248728 | 0.71 | ALDH1A1 (0.36) | — | |
| SCHEMBL11189339 | 0.69 | — | — | |
| SCHEMBL7189557 | 0.69 | — | — | |
| SCHEMBL27865284 | 0.69 | — | — | |
| SCHEMBL10926806 | 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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-RE44733-E1 | 6-mercapto-cyclodextrin derivatives:reversal agents for drug-induced neuromuscular block | MERCK SHARP & DOHME B.V. (NL) | 2014-01-28 | — | — | US | disclosed |
| US-6949527-B2 | 6-Mercapto-cyclodextrin derivatives: reversal agents for drug-induced neuromuscular block | AKZO NOBEL N.V. (NL) | 2005-09-27 | — | — | US | disclosed |
| CN-1188428-C | 6-mercapto-cyclodextrin derivs.: resersal agent for drug-induced neuromuscular block | AKZO NOBEL NV (NL) | 2005-02-09 | — | — | CN | disclosed |
| EP-1259550-B1 | 6-MERCAPTO-CYCLODEXTRIN DERIVATIVES: REVERSAL AGENTS FOR DRUG-INDUCED NEUROMUSCULAR BLOCK | AKZO NOBEL NV (NL) | 2005-02-02 | — | — | EP | disclosed |
| US-20040029833-A1 | 6-Mercapto-cyclodextrin derivatives: reversal agents for drug-induced neuromuscular block | MERCK SHARP & DOHME B.V. (NL) | 2004-02-12 | — | — | US | disclosed |
| US-6670340-B1 | 6-Mercapto-cyclodextrin derivatives:reversal agents for drug-induced neuromuscular block | AKZO NOBEL (NL) | 2003-12-30 | — | — | US | disclosed |
| CN-1402737-A | 6-mercapto-cyclodextrin derivs.: resersal agent for drug-induced neuromuscular block | AKZO NOBEL NV (NL) | 2003-03-12 | — | — | CN | disclosed |
| EP-1259550-A1 | 6-MERCAPTO-CYCLODEXTRIN DERIVATIVES: REVERSAL AGENTS FOR DRUG-INDUCED NEUROMUSCULAR BLOCK | Akzo Nobel N.V. (NL) | 2002-11-27 | — | — | EP | disclosed |
| WO-2001040316-A1 | 6-MERCAPTO-CYCLODEXTRIN DERIVATIVES: REVERSAL AGENTS FOR DRUG-INDUCED NEUROMUSCULAR BLOCK | AKZO NOBEL N.V. (NL) | 2001-06-07 | — | — | WO | disclosed |