⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27223092 | 0.78 | CA12 (0.31) | — | |
| SCHEMBL25815965 | 0.74 | ALDH1A1 (0.34) | — | |
| SCHEMBL25815970 | 0.74 | TACR1 (0.32) | — | |
| SCHEMBL12599748 | 0.70 | LMNA (0.31) | — | |
| SCHEMBL31254209 | 0.68 | MAPT (0.30) | — | |
| SCHEMBL12599746 | 0.67 | LMNA (0.33) | — | |
| SCHEMBL15282459 | 0.67 | NOS2 (0.32) | — | |
| SCHEMBL18981834 | 0.67 | — | — | |
| SCHEMBL1586151 | 0.66 | ALDH1A1 (0.41) | — | |
| SCHEMBL15390824 | 0.66 | KHK (0.33) | — |
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 |