⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12879982 | 0.76 | — | — | |
| SCHEMBL17620519 | 0.76 | — | — | |
| SCHEMBL16091201 | 0.74 | — | — | |
| SCHEMBL19708744 | 0.74 | — | — | |
| SCHEMBL24420156 | 0.72 | ALDH1A1 (0.48) | — | |
| SCHEMBL16683419 | 0.72 | — | — | |
| SCHEMBL25129388 | 0.70 | — | — | |
| SCHEMBL17622985 | 0.70 | — | — | |
| SCHEMBL12879727 | 0.69 | — | — | |
| SCHEMBL12987000 | 0.69 | — | — |
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-20170355708-A1 | POTASSIUM CHANNEL MODULATORS | CADENT THERAPEUTICS, INC. | 2017-12-14 | — | — | US | disclosed |
| US-20150051174-A1 | Phosphonate Compounds | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2015-02-19 | — | — | US | disclosed |
| US-20150051174-A1 | Phosphonate Compounds | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2015-02-19 | — | — | US | disclosed |