⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2352053 | 0.80 | — | — | |
| SCHEMBL15390290 | 0.78 | CA12 (0.33) | — | |
| SCHEMBL457306 | 0.77 | — | — | |
| SCHEMBL2344169 | 0.77 | HTR2A (0.31) | — | |
| SCHEMBL15352615 | 0.77 | — | — | |
| SCHEMBL8196392 | 0.76 | KDM4E (0.32) | — | |
| SCHEMBL11278659 | 0.74 | — | — | |
| SCHEMBL5329541 | 0.74 | TUBB1 (0.30) | — | |
| SCHEMBL8879586 | 0.73 | — | — | |
| SCHEMBL3909730 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021078120-A1 | COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES | NOVARTIS AG (CH) | 2021-04-29 | — | — | WO | claimed |
| EP-2262500-B1 | THIENOPYRIDONE DERIVATIVES AS AMP-ACTIVATED PROTEIN KINASE (AMPK) ACTIVATORS | MERCK PATENT GMBH (DE) | 2016-04-27 | — | — | EP | disclosed |