⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12142788 | 0.78 | — | — | |
| SCHEMBL23169278 | 0.78 | — | — | |
| SCHEMBL1470785 | 0.78 | — | — | |
| SCHEMBL21977576 | 0.75 | — | — | |
| SCHEMBL18214904 | 0.73 | TSHR (0.32) | — | |
| SCHEMBL23170098 | 0.73 | TSHR (0.32) | — | |
| SCHEMBL23172187 | 0.73 | TSHR (0.32) | — | |
| SCHEMBL4570466 | 0.73 | TSHR (0.32) | — | |
| SCHEMBL15697283 | 0.71 | — | — | |
| SCHEMBL91509 | 0.71 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2992032-B1 | PROCESS FOR PREPARING POLYCARBONATES BY POLYMERIZATION OF FIVE-MEMBERED-RING CYCLIC CARBONATES | TOTAL RES & TECHNOLOGY FELUY (BE) | 2017-12-06 | — | — | EP | disclosed |
| WO-2017059966-A1 | PYRAZOLYL SUBSTITUTED TETRAHYDROPYRANYLSULFONES | Grünenthal GmbH (DE) | 2017-04-13 | — | — | WO | disclosed |