⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25786585 | 0.79 | — | — | |
| SCHEMBL839966 | 0.74 | — | — | |
| SCHEMBL6267876 | 0.71 | MEN1 (0.32) | — | |
| SCHEMBL22073895 | 0.71 | — | — | |
| SCHEMBL22032664 | 0.70 | — | — | |
| SCHEMBL22033655 | 0.70 | — | — | |
| SCHEMBL14256117 | 0.70 | — | — | |
| SCHEMBL24535580 | 0.69 | — | — | |
| SCHEMBL9963151 | 0.67 | — | — | |
| SCHEMBL22856108 | 0.67 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20220380309-A1 | CHOLINE METABOLISM INHIBITORS | PRESIDENT AND FELLOWS OF HARVARD COLLEGE | 2022-12-01 | — | — | US | disclosed |
| WO-2020117942-A1 | CHOLINE METABOLISM INHIBITORS | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2020-06-11 | — | — | WO | disclosed |
| WO-2020117942-A1 | CHOLINE METABOLISM INHIBITORS | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2020-06-11 | — | — | WO | disclosed |