⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5069141 | 0.88 | — | — | |
| SCHEMBL5180559 | 0.82 | — | — | |
| SCHEMBL1402637 | 0.81 | — | — | |
| SCHEMBL3247739 | 0.77 | — | — | |
| SCHEMBL1402625 | 0.73 | — | — | |
| SCHEMBL5180522 | 0.73 | — | — | |
| SCHEMBL3243276 | 0.71 | — | — | |
| SCHEMBL3249659 | 0.69 | CYP3A4 (0.31) | — | |
| SCHEMBL5180394 | 0.69 | — | — | |
| SCHEMBL9670422 | 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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-100341852-C | Sulfur-bearing unsaturated carboxylic ester compound and use thereof | MITSUI CHEMICAL IND CO LTD (JP) | 2007-10-10 | — | — | CN | disclosed |
| EP-1057808-B1 | Sulfur-containing unsaturated carboxylate compound and its use | MITSUI CHEMICALS INC (JP) | 2007-03-14 | — | — | EP | disclosed |
| EP-1302471-B1 | SULFUR COMPOUND AND USE THEREOF | MITSUI CHEMICALS INC (JP) | 2006-12-27 | — | — | EP | disclosed |
| US-6570025-B1 | Photopolymerization | MITSUI CHEMICALS, INC. (JP) | 2003-05-27 | — | — | US | disclosed |
| EP-1302471-A1 | SULFUR COMPOUND AND USE THEREOF | Mitsui Chemicals, Inc. (JP) | 2003-04-16 | — | — | EP | disclosed |
| US-6458908-B1 | A PROCESS FOR PREPARING A SULFUR-CONTAINING UNSATURATED CARBOXYLATE COMPOUND AS CLAIMED IN CLAIM 1 COMPRISING REACTING A SULFUR-CONTAINING DERIVATIVE FOR OPTICAL POLYMERS | MITSUI CHEMICALS, INC. (JP) | 2002-10-01 | — | — | US | disclosed |
| CN-1283614-A | Sulfur-bearing unsaturated carboxylic ester compound and use thereof | MITSUI CHEMICAL IND CO LTD (JP) | 2001-02-14 | — | — | CN | disclosed |
| EP-1057808-A2 | Sulfur-containing unsaturated carboxylate compound and its use | Mitsui Chemicals, Inc. (JP) | 2000-12-06 | — | — | EP | disclosed |