⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9143482 | 0.87 | ALDH1A1 (0.35) | — | |
| SCHEMBL18386698 | 0.83 | TSHR (0.63) | — | |
| SCHEMBL14996653 | 0.77 | — | — | |
| SCHEMBL2335970 | 0.75 | LMNA (0.60) | — | |
| Succinic Acid SCHEMBL3628497 | 0.73 | EGLN1 (0.82) | — | |
| Succinic Acid SCHEMBL30575212 | 0.73 | EGLN1 (0.82) | — | |
| Succinic Acid SCHEMBL27584447 | 0.73 | EGLN1 (0.82) | — | |
| Succinic Acid SCHEMBL4269135 | 0.73 | LMNA (1.00) | — | |
| Succinic Acid SCHEMBL829 | 0.73 | — | — | |
| Succinic Acid SCHEMBL21867134 | 0.73 | LMNA (1.00) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117980308-A | Compound having photocleavable site, joined body, and screening method using same | 中外制药株式会社 | 2024-05-03 | — | — | CN | disclosed |
| CN-107988131-B | Method for high-yield production of α -ketone-gamma-methylthiobutyric acid | 江南大学 | 2020-06-09 | — | — | CN | disclosed |