⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL179013 | 0.96 | — | — | |
| Methanesulfonic Acid Methyl Ester SCHEMBL5666257 | 0.70 | — | — | |
| SCHEMBL27661953 | 0.70 | — | — | |
| SCHEMBL16516370 | 0.70 | USP2 (0.50) | — | |
| SCHEMBL338093 | 0.67 | — | — | |
| SCHEMBL8403165 | 0.67 | — | — | |
| SCHEMBL8720021 | 0.67 | USP2 (0.47) | — | |
| SCHEMBL6376803 | 0.67 | — | — | |
| SCHEMBL10449866 | 0.67 | — | — | |
| Dimethyl Sulfone SCHEMBL11761411 | 0.66 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103025766-B | Single-layer film and hydrophilic material comprising same | MITSUI CHEMICALS INC | 2014-11-05 | — | — | CN | disclosed |
| CN-103025766-A | Single-layer film and hydrophilic material comprising same | MITSUI CHEMICALS INC | 2013-04-03 | — | — | CN | disclosed |
| EP-1109779-B8 | NOVEL MERCAPTANS AND DISULFIDES | BIONUMERIK PHARMACEUTICALS INC (US) | 2009-05-27 | — | — | EP | disclosed |
| EP-1109779-B1 | NOVEL MERCAPTANS AND DISULFIDES | BIONUMERIK PHARMACEUTICALS INC (US) | 2009-03-11 | — | — | EP | disclosed |
| EP-1109779-A4 | NOVEL MERCAPTANS AND DISULFIDES | BIONUMERIK PHARMACEUTICALS INC (US) | 2003-04-16 | — | — | EP | disclosed |
| EP-1109779-A1 | NOVEL MERCAPTANS AND DISULFIDES | BIONUMERIK PHARMACEUTICALS, INC. (US) | 2001-06-27 | — | — | EP | disclosed |
| US-6160167-A | Mercaptans and disulfides | BIONUMERIK PHARMACEUTICALS, INC. (US) | 2000-12-12 | — | — | US | disclosed |
| WO-2000012469-A1 | NOVEL MERCAPTANS AND DISULFIDES | BIONUMERIK PHARMACEUTICALS, INC. (US) | 2000-03-09 | — | — | WO | disclosed |