⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5210073 | 0.92 | — | — | |
| SCHEMBL5933344 | 0.81 | — | — | |
| SCHEMBL6522502 | 0.81 | — | — | |
| SCHEMBL25625507 | 0.81 | — | — | |
| SCHEMBL516657 | 0.79 | — | — | |
| SCHEMBL14530585 | 0.78 | TSHR (0.30) | — | |
| SCHEMBL6420709 | 0.76 | — | — | |
| SCHEMBL134136 | 0.74 | — | — | |
| SCHEMBL19752065 | 0.73 | — | — | |
| SCHEMBL24255 | 0.72 | — | — |
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-3092288-A1 | METHOD FOR REMOVING SULFUR COMPOUNDS FROM HYDROCARBON STREAMS | BASF SE (DE) | 2016-11-16 | — | — | EP | disclosed |
| WO-2015104304-A1 | METHOD FOR REMOVING SULFUR COMPOUNDS FROM HYDROCARBON STREAMS | BASF SE (DE) | 2015-07-16 | — | — | WO | disclosed |
| EP-1477186-B1 | ANTIPRURITICS | SHIONOGI & CO (JP) | 2009-11-11 | — | — | EP | disclosed |