⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19101609 | 0.81 | TSHR (0.32) | — | |
| SCHEMBL22071895 | 0.74 | LMNA (0.36) | — | |
| SCHEMBL24884816 | 0.71 | AKT1 (0.35) | — | |
| SCHEMBL19300441 | 0.71 | AKT1 (0.38) | — | |
| SCHEMBL20625867 | 0.71 | MEN1 (0.32) | — | |
| SCHEMBL21229634 | 0.71 | MAPT (0.43) | — | |
| SCHEMBL22036325 | 0.71 | LMNA (0.36) | — | |
| SCHEMBL23486953 | 0.70 | MAPK13 (0.42) | — | |
| SCHEMBL17545023 | 0.69 | NOS3 (0.32) | — | |
| SCHEMBL20908860 | 0.69 | MEN1 (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-2019179909-A1 | METAL COMPLEXES | MERCK PATENT GMBH (DE) | 2019-09-26 | — | — | WO | disclosed |