⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28226467 | 0.76 | MEN1 (0.48) | — | |
| SCHEMBL9763750 | 0.74 | — | — | |
| SCHEMBL17261803 | 0.72 | CHRM2 (0.36) | — | |
| SCHEMBL12510665 | 0.72 | — | — | |
| SCHEMBL11206444 | 0.72 | — | — | |
| SCHEMBL3876725 | 0.72 | — | — | |
| SCHEMBL19549032 | 0.72 | HTT (0.45) | — | |
| SCHEMBL6279266 | 0.71 | — | — | |
| SCHEMBL2431027 | 0.70 | — | — | |
| Formic Acid SCHEMBL23405876 | 0.69 | CTH (0.32) | — |
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 |