⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25846725 | 0.78 | ACE2 (0.33) | — | |
| SCHEMBL18999654 | 0.73 | CCR8 (0.33) | — | |
| SCHEMBL19297128 | 0.69 | ACE2 (0.36) | — | |
| SCHEMBL23798400 | 0.69 | P2RX7 (0.37) | — | |
| SCHEMBL21969446 | 0.69 | KDM4E (0.39) | — | |
| SCHEMBL25091485 | 0.69 | GPR55 (0.35) | — | |
| SCHEMBL30954325 | 0.67 | LMNA (0.38) | — | |
| SCHEMBL2382172 | 0.67 | AHR (0.38) | — | |
| SCHEMBL22095896 | 0.67 | ACE2 (0.44) | — | |
| SCHEMBL20350275 | 0.66 | DAO (0.30) | — |
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 |