⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4297297 | 0.73 | — | — | |
| SCHEMBL23288605 | 0.71 | — | — | |
| SCHEMBL341929 | 0.69 | — | — | |
| SCHEMBL341390 | 0.68 | CYP2C19 (0.30) | — | |
| SCHEMBL23288626 | 0.65 | NPSR1 (0.30) | — | |
| SCHEMBL20221292 | 0.64 | — | — | |
| SCHEMBL19003153 | 0.64 | — | — | |
| SCHEMBL21287215 | 0.64 | — | — | |
| SCHEMBL24188057 | 0.63 | — | — | |
| SCHEMBL24187935 | 0.61 | — | — |
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 1 patent. 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 | disclosed |