⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5181611 | 0.78 | — | — | |
| SCHEMBL5180759 | 0.76 | — | — | |
| SCHEMBL5180279 | 0.73 | — | — | |
| SCHEMBL9795837 | 0.73 | NOS1 (0.40) | — | |
| SCHEMBL22289803 | 0.71 | — | — | |
| SCHEMBL7223650 | 0.70 | — | — | |
| SCHEMBL7222785 | 0.70 | — | — | |
| SCHEMBL5728032 | 0.69 | ALDH1A1 (0.36) | — | |
| SCHEMBL21409589 | 0.67 | — | — | |
| SCHEMBL4372645 | 0.65 | — | — |
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-1057808-B1 | Sulfur-containing unsaturated carboxylate compound and its use | MITSUI CHEMICALS INC (JP) | 2007-03-14 | — | — | 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 |
| EP-1057808-A2 | Sulfur-containing unsaturated carboxylate compound and its use | Mitsui Chemicals, Inc. (JP) | 2000-12-06 | — | — | EP | disclosed |