⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31472302 | 0.80 | CDC7 (0.33) | — | |
| SCHEMBL21491362 | 0.80 | CDC7 (0.33) | — | |
| SCHEMBL21491275 | 0.80 | ESR1 (0.38) | — | |
| SCHEMBL31472367 | 0.80 | ESR1 (0.38) | — | |
| SCHEMBL31472352 | 0.77 | SLC6A2 (0.38) | — | |
| SCHEMBL31472438 | 0.77 | CYP11B2 (0.39) | — | |
| SCHEMBL21491118 | 0.77 | SLC6A2 (0.38) | — | |
| SCHEMBL29456404 | 0.77 | CYP11B2 (0.39) | — | |
| SCHEMBL21491281 | 0.77 | CYP11B2 (0.39) | — | |
| SCHEMBL21491215 | 0.76 | TP53 (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3784666-B1 | ANTIPROLIFERATION COMPOUNDS AND USES THEREOF | MERCK PATENT GMBH (DE) | 2022-03-16 | — | — | EP | disclosed |