⚠ 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 | |
|---|---|---|---|---|
| Methane SCHEMBL7061056 | 0.97 | TSHR (0.33) | — | |
| SCHEMBL31312609 | 0.84 | ANPEP (0.32) | — | |
| Methane SCHEMBL7614864 | 0.81 | ANPEP (0.31) | — | |
| SCHEMBL6672056 | 0.78 | — | — | |
| SCHEMBL106122 | 0.77 | — | — | |
| SCHEMBL3747066 | 0.77 | — | — | |
| SCHEMBL4383876 | 0.77 | — | — | |
| SCHEMBL2985874 | 0.77 | — | — | |
| SCHEMBL10076291 | 0.77 | — | — | |
| SCHEMBL23584388 | 0.75 | — | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1057843-B1 | Aqueous emulsion, process for producing the same and aqueous paint and aqueous printing ink comprising the same | NIPPON POLYURETHANE KOGYO KK (JP) | 2004-09-15 | — | — | EP | disclosed |
| EP-0742244-B1 | Durable polysulfide composition for optical material | MITSUI CHEMICALS INC (JP) | 2004-08-11 | — | — | EP | disclosed |
| EP-0751161-B1 | Sulfur-containing urethane-based resin composition, optical element and lens comprising this resin | MITSUI CHEMICALS INC (JP) | 2003-01-02 | — | — | EP | disclosed |
| CN-1090654-C | Resin composition based on polysulfide, resin based on polysulfide, and optical material containing said resin | MITSUI TOATSU CHEMICALS K K (JP) | 2002-09-11 | — | — | CN | disclosed |
| CN-1082968-C | Sulfur-containing urethane-based resin composition, its resin, and optical element and lens comprising resin thereof | MITSUI CHEMICALS INC (JP) | 2002-04-17 | — | — | CN | disclosed |
| US-6306947-B1 | Printing ink and paint composed of an aqueous emulsion of self-emulsifiable urethane copolymer | NIPPON POLYURETHANE INDUSTRY CO., LTD. (JP) | 2001-10-23 | — | — | US | disclosed |
| EP-1057843-A1 | Aqueous emulsion, process for producing the same and aqueous paint and aqueous printing ink comprising the same | NIPPON POLYURETHANE INDUSTRY CO. LTD. (JP) | 2000-12-06 | — | — | EP | disclosed |
| US-5955206-A | POLYTHIOETHERS AND ACRYLATE OR VINYL GROUPS FOR CURING TO FORM OPTICAL LENSES | MITSUI CHEMICALS, INC. (JP) | 1999-09-21 | — | — | US | disclosed |
| US-5736609-A | A POLYTHIO COMPOUND CONTAINING AT LEAST TWO MERCAPTO GROUPS, A POLYISO(THIO)CYANATE COMPOUND, AND A COMPOUND HAVING TWO OR MORE UNSATURATED REACTIVE GROUPS | MITSUI TOATSU CHEMICALS, INC. (JP) | 1998-04-07 | — | — | US | disclosed |
| CN-1154983-A | Resin composition based on polysulfide, resin based on polysulfide, and optical material containing said resin | MITSUI TOATSU CHEMICALS K K (JP) | 1997-07-23 | — | — | CN | disclosed |
| CN-1148055-A | Sulfur-containing urethane-based resin composition, its resin, and optical element and lens comprising resin thereof | MITSUI TOATSU CHEMICALS (JP) | 1997-04-23 | — | — | CN | disclosed |
| EP-0751161-A2 | Sulfur-containing urethane-based resin composition, optical element and lens comprising this resin | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1997-01-02 | — | — | EP | disclosed |
| EP-0742244-A2 | Durable polysulfide composition for optical material | MITSUI TOATSU CHEMICALS, INC. (JP) | 1996-11-13 | — | — | EP | disclosed |