⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8515466 | 1.00 | — | — | |
| SCHEMBL18555596 | 1.00 | — | — | |
| SCHEMBL18025091 | 0.87 | — | — | |
| SCHEMBL26765836 | 0.74 | — | — | |
| SCHEMBL23572885 | 0.71 | — | — | |
| SCHEMBL1564804 | 0.71 | — | — | |
| SCHEMBL18024874 | 0.69 | — | — | |
| SCHEMBL16185200 | 0.69 | — | — | |
| SCHEMBL17547422 | 0.69 | — | — | |
| SCHEMBL18304586 | 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 8 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 |
| US-20120157448-A1 | COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES | GENENTECH, INC. | 2012-06-21 | — | — | US | disclosed |
| US-20120157448-A1 | COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES | GENENTECH, INC. | 2012-06-21 | — | — | US | disclosed |
| US-20120157448-A1 | COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES | GENENTECH, INC. | 2012-06-21 | — | — | US | disclosed |
| WO-2012071458-A1 | HETEROCYCLIC INHIBITORS OF BETA - SECRETASE FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES | ARRAY BIOPHARMA INC. (US) | 2012-05-31 | — | — | WO | disclosed |
| WO-2012071458-A1 | HETEROCYCLIC INHIBITORS OF BETA - SECRETASE FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES | ARRAY BIOPHARMA INC. (US) | 2012-05-31 | — | — | WO | disclosed |