⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2139909 | 0.70 | — | — | |
| SCHEMBL18568271 | 0.61 | — | — | |
| SCHEMBL1275536 | 0.57 | — | — | |
| SCHEMBL14368204 | 0.56 | — | — | |
| SCHEMBL4998493 | 0.56 | — | — | |
| SCHEMBL1276561 | 0.56 | — | — | |
| SCHEMBL17787404 | 0.50 | — | — | |
| SCHEMBL12062681 | 0.46 | — | — | |
| SCHEMBL9715985 | 0.45 | — | — | |
| SCHEMBL21812141 | 0.45 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0455076-A2 | 1-Fluoro-2,3-epithiopropane and elastomers obtained from it | BAYER AG (DE) | 1991-11-06 | — | — | EP | claimed |
| EP-0455076-A2 | 1-Fluoro-2,3-epithiopropane and elastomers obtained from it | BAYER AG (DE) | 1991-11-06 | — | — | EP | disclosed |
| EP-0455076-A2 | 1-Fluoro-2,3-epithiopropane and elastomers obtained from it | BAYER AG (DE) | 1991-11-06 | — | — | EP | disclosed |
| EP-0455076-A2 | 1-Fluoro-2,3-epithiopropane and elastomers obtained from it | BAYER AG (DE) | 1991-11-06 | — | — | EP | disclosed |