⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17169741 | 0.71 | LMNA (0.43) | — | |
| SCHEMBL4558728 | 0.71 | LMNA (0.38) | — | |
| SCHEMBL22069 | 0.71 | — | — | |
| SCHEMBL753785 | 0.69 | ITGA4 (0.37) | — | |
| SCHEMBL6162987 | 0.69 | LMNA (0.36) | — | |
| SCHEMBL21196916 | 0.69 | — | — | |
| SCHEMBL6278824 | 0.69 | LMNA (0.36) | — | |
| SCHEMBL12803697 | 0.69 | LMNA (0.36) | — | |
| SCHEMBL16976714 | 0.67 | CRBN (0.38) | — | |
| SCHEMBL2185650 | 0.67 | SMN1; SMN2 (0.46) | — |
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-20180135134-A1 | TARGETED SELECTION OF PATIENTS FOR TREATMENT WITH CORTISTATIN DERIVATIVES | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2018-05-17 | — | — | US | disclosed |