⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20416058 | 0.69 | — | — | |
| SCHEMBL21766858 | 0.67 | — | — | |
| SCHEMBL23839235 | 0.66 | GPR3 (0.42) | — | |
| SCHEMBL19322526 | 0.62 | — | — | |
| SCHEMBL23605039 | 0.61 | — | — | |
| SCHEMBL23253991 | 0.61 | — | — | |
| SCHEMBL18888249 | 0.58 | — | — | |
| SCHEMBL910308 | 0.58 | — | — | |
| SCHEMBL22326702 | 0.57 | — | — | |
| SCHEMBL10093812 | 0.56 | LMNA (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20170174689-A1 | SUBSTITUTED INDOLE MCL-1 INHIBITORS | VANDERBILT UNIVERSITY | 2017-06-22 | — | — | US | disclosed |