⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23288610 | 0.74 | TP53 (0.41) | — | |
| SCHEMBL23486494 | 0.74 | DPP4 (0.37) | — | |
| SCHEMBL18533756 | 0.72 | — | — | |
| SCHEMBL23486736 | 0.70 | ALDH1A1 (0.31) | — | |
| SCHEMBL23486737 | 0.70 | CHRNB2 (0.42) | — | |
| SCHEMBL22995951 | 0.70 | — | — | |
| SCHEMBL4957529 | 0.69 | — | — | |
| SCHEMBL21341350 | 0.69 | TSHR (0.36) | — | |
| SCHEMBL23486500 | 0.69 | GAA (0.34) | — | |
| SCHEMBL23486802 | 0.69 | LMNA (0.37) | — |
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-20230016922-A1 | VISIBLE-LIGHT MEDIATED ORGANOPHOTOREDOX CATALYTIC DEUTERATION OF AROMATIC AND ALIPHATIC ALDEHYDES | NATIONAL INSTITUTES OF HEALTH | 2023-01-19 | — | — | US | disclosed |