⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23369721 | 1.00 | — | — | |
| SCHEMBL23369736 | 1.00 | — | — | |
| SCHEMBL21621835 | 0.69 | EPHX2 (0.38) | — | |
| SCHEMBL23369741 | 0.69 | EPHX2 (0.38) | — | |
| Crisugabalin SCHEMBL21621701 | 0.65 | POLB (0.35) | — | |
| Crisugabalin SCHEMBL21144567 | 0.65 | POLB (0.35) | — | |
| Crisugabalin SCHEMBL24631233 | 0.65 | POLB (0.35) | — | |
| Crisugabalin SCHEMBL23080592 | 0.65 | POLB (0.35) | — | |
| Crisugabalin SCHEMBL23080519 | 0.65 | POLB (0.35) | — | |
| Crisugabalin SCHEMBL21144566 | 0.65 | POLB (0.35) | — |
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-2020029762-A1 | PREPARATION METHOD FOR FUSED TRICYCLIC γ-AMINO ACID DERIVATIVE AND INTERMEDIATE THEREOF | 四川海思科制药有限公司 | 2020-02-13 | — | — | WO | disclosed |