⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6782280 | 0.84 | — | — | |
| SCHEMBL134356 | 0.84 | — | — | |
| SCHEMBL15177569 | 0.72 | ALDH1A1 (0.30) | — | |
| SCHEMBL22448806 | 0.72 | — | — | |
| SCHEMBL18500728 | 0.70 | ALDH1A1 (0.35) | — | |
| SCHEMBL18384525 | 0.66 | — | — | |
| SCHEMBL12888006 | 0.66 | — | — | |
| Toluene SCHEMBL4089210 | 0.66 | LMNA (0.44) | — | |
| SCHEMBL8289286 | 0.64 | — | — | |
| SCHEMBL18205719 | 0.64 | — | — |
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-2021136390-A1 | BLOOD COAGULATION FACTOR XIA INHIBITOR | 上海京新生物医药有限公司 | 2021-07-08 | — | — | WO | disclosed |