⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22032661 | 1.00 | — | — | |
| SCHEMBL16006665 | 1.00 | — | — | |
| SCHEMBL3419711 | 0.84 | CA1 (0.36) | — | |
| SCHEMBL7121202 | 0.81 | — | — | |
| SCHEMBL497334 | 0.79 | CA1 (0.74) | — | |
| SCHEMBL9283280 | 0.79 | — | — | |
| SCHEMBL12909793 | 0.77 | CA1 (0.71) | — | |
| SCHEMBL7160070 | 0.77 | CA1 (0.71) | — | |
| SCHEMBL436149 | 0.77 | — | — | |
| SCHEMBL7123205 | 0.76 | CA1 (0.47) | — |
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 2 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 |