⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4863036 | 0.80 | ALDH1A1 (0.46) | — | |
| SCHEMBL30889164 | 0.80 | LMNA (0.42) | — | |
| SCHEMBL30889169 | 0.79 | CYP1A2 (0.34) | — | |
| SCHEMBL2380925 | 0.79 | ALDH1A1 (0.39) | — | |
| SCHEMBL620517 | 0.79 | GAA (0.42) | — | |
| SCHEMBL155686 | 0.79 | — | — | |
| SCHEMBL142215 | 0.79 | TSHR (0.39) | — | |
| SCHEMBL1121870 | 0.78 | TSHR (0.43) | — | |
| SCHEMBL14982575 | 0.78 | — | — | |
| SCHEMBL475144 | 0.78 | TSHR (0.43) | — |
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-2024094637-A1 | PROCESS FOR THE PREPARATION OF CYCLIC KETONES | ARXADA AG (CH) | 2024-05-10 | — | — | WO | disclosed |