⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21397929 | 0.94 | DUSP3 (0.31) | — | |
| SCHEMBL19104543 | 0.92 | DUSP3 (0.32) | — | |
| SCHEMBL15840211 | 0.91 | DUSP3 (0.32) | — | |
| SCHEMBL22256568 | 0.91 | — | — | |
| SCHEMBL23487736 | 0.91 | — | — | |
| SCHEMBL29306718 | 0.90 | DUSP3 (0.32) | — | |
| SCHEMBL18015657 | 0.90 | DUSP3 (0.33) | — | |
| SCHEMBL20072887 | 0.90 | DUSP3 (0.33) | — | |
| SCHEMBL24078155 | 0.90 | DUSP3 (0.32) | — | |
| SCHEMBL29306721 | 0.90 | DUSP3 (0.32) | — |
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-2022034046-A1 | METAL COMPLEXES | MERCK PATENT GMBH (DE) | 2022-02-17 | — | — | WO | disclosed |