⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2395916 | 0.84 | — | — | |
| SCHEMBL1470865 | 0.81 | — | — | |
| SCHEMBL11965847 | 0.81 | TRPA1 (0.50) | — | |
| SCHEMBL7153640 | 0.81 | TRPA1 (0.50) | — | |
| SCHEMBL7156742 | 0.81 | TRPA1 (0.50) | — | |
| SCHEMBL7155007 | 0.81 | TRPA1 (0.50) | — | |
| SCHEMBL7156424 | 0.81 | — | — | |
| SCHEMBL7155296 | 0.81 | TRPA1 (0.50) | — | |
| SCHEMBL7155535 | 0.81 | TRPA1 (0.50) | — | |
| SCHEMBL862798 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0987567-B1 | A sulfur-containing (thio)ether (co)polymer and a use thereof | MITSUI CHEMICALS INC (JP) | 2004-04-07 | — | — | EP | disclosed |
| US-6320020-B1 | POLYMER OR COPOLYMER CONTAINING A SULFUR ATOM WHOSE PRINCIPAL BACKBONE COMPRISES ETHER AND/OR THIOETHER BONDS; OPTICAL DISK SUBSTRATE; A LIQUID-CRYSTAL PLASTIC SUBSTRATE; VARIOUS OPTICAL LENSES INCLUDING AN EYEGLASS; AND AN LED SEALING COAT. | MITSUI CHEMICALS, INC. (JP) | 2001-11-20 | — | — | US | disclosed |
| EP-0987567-A1 | A sulfur-containing (thio)ether (co)polymer and a use thereof | Mitsui Chemicals, Inc. (JP) | 2000-03-22 | — | — | EP | disclosed |