⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1071378 | 0.79 | CES2 (0.43) | — | |
| SCHEMBL1074217 | 0.78 | — | — | |
| SCHEMBL1696081 | 0.78 | ESR1 (0.46) | — | |
| SCHEMBL9264805 | 0.73 | — | — | |
| SCHEMBL10431913 | 0.73 | ESRRG (0.42) | — | |
| SCHEMBL12981848 | 0.71 | — | — | |
| SCHEMBL12981846 | 0.71 | — | — | |
| SCHEMBL4933643 | 0.70 | POLB (0.47) | — | |
| SCHEMBL483034 | 0.70 | — | — | |
| SCHEMBL10794905 | 0.68 | TRPA1 (0.38) | — |
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-2023137133-A2 | PROCESS FOR THE SELECTIVE CATALYTIC HYDROGENATION OF DIENONES | BASF SE (DE) | 2023-07-20 | — | — | WO | disclosed |