⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18695250 | 0.79 | PRKDC (0.30) | — | |
| SCHEMBL18695205 | 0.76 | TP53 (0.41) | — | |
| SCHEMBL16051192 | 0.68 | PTGS2 (0.30) | — | |
| SCHEMBL18695267 | 0.63 | ALDH1A1 (0.35) | — | |
| SCHEMBL25108407 | 0.60 | DGAT1 (0.33) | — | |
| SCHEMBL18695253 | 0.60 | TP53 (0.45) | — | |
| SCHEMBL24013829 | 0.60 | — | — | |
| SCHEMBL31708953 | 0.60 | F2RL1 (0.33) | — | |
| SCHEMBL24035668 | 0.60 | DGAT1 (0.36) | — | |
| SCHEMBL2520896 | 0.59 | ALDH1A1 (0.42) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017059965-A1 | PYRAZOLYL SUBSTITUTED TETRAHYDROPYRANYLSULFONES | Grünenthal GmbH (DE) | 2017-04-13 | — | — | WO | disclosed |