⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24675259 | 0.78 | HTR2A (0.34) | — | |
| SCHEMBL24674723 | 0.73 | HTR2A (0.51) | — | |
| SCHEMBL24675011 | 0.71 | TIPARP (0.38) | — | |
| SCHEMBL24674692 | 0.71 | — | — | |
| SCHEMBL24675530 | 0.68 | TIPARP (0.41) | — | |
| SCHEMBL24675540 | 0.65 | LCAT (0.34) | — | |
| SCHEMBL24674982 | 0.65 | GPR6 (0.32) | — | |
| SCHEMBL24675321 | 0.64 | GRM5 (0.34) | — | |
| SCHEMBL26958260 | 0.60 | HTR2A (0.36) | — | |
| SCHEMBL24675075 | 0.55 | HTR2A (0.43) | — |
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-2022223022-A1 | FUSED-RING HETEROCYCLE DERIVATIVE AND MEDICAL APPLICATION THEREOF | 四川海思科制药有限公司 | 2022-10-27 | — | — | WO | disclosed |