⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22032693 | 1.00 | — | — | |
| SCHEMBL22032965 | 1.00 | — | — | |
| SCHEMBL22032728 | 0.84 | PREP (0.39) | — | |
| SCHEMBL30242513 | 0.84 | PREP (0.39) | — | |
| SCHEMBL30242481 | 0.84 | PREP (0.39) | — | |
| SCHEMBL1219788 | 0.82 | CHRM2 (0.32) | — | |
| SCHEMBL18614736 | 0.82 | PREP (0.35) | — | |
| SCHEMBL22032700 | 0.81 | ATM (0.32) | — | |
| SCHEMBL22032673 | 0.81 | ATM (0.32) | — | |
| SCHEMBL22032674 | 0.81 | ATM (0.32) | — |
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-2020117942-A1 | CHOLINE METABOLISM INHIBITORS | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2020-06-11 | — | — | WO | disclosed |