⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17532977 | 0.59 | NOS3 (0.42) | — | |
| SCHEMBL20110472 | 0.59 | L3MBTL1 (0.50) | — | |
| SCHEMBL12200494 | 0.56 | CYP2A6 (0.50) | — | |
| SCHEMBL2508698 | 0.56 | HSP90AA1 (0.44) | — | |
| SCHEMBL12200497 | 0.56 | ALDH1A1 (0.46) | — | |
| SCHEMBL18938791 | 0.56 | CYP2A6 (0.43) | — | |
| SCHEMBL15855019 | 0.55 | LMNA (0.37) | — | |
| SCHEMBL19608993 | 0.54 | ACHE (0.43) | — | |
| SCHEMBL12200457 | 0.54 | ALDH1A1 (0.52) | — | |
| SCHEMBL13312929 | 0.54 | CYP2A6 (0.36) | — |
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-2023125182-A1 | PROPIONIC ACID DERIVATIVE AND MEDICAL USE THEREOF | 海思科医药集团股份有限公司 | 2023-07-06 | — | — | WO | disclosed |