⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27112701 | 0.78 | SRC (0.35) | — | |
| SCHEMBL27112056 | 0.77 | LRRK2 (0.36) | — | |
| SCHEMBL27113287 | 0.76 | — | — | |
| SCHEMBL27112041 | 0.75 | NFATC1 (0.30) | — | |
| SCHEMBL27112117 | 0.71 | — | — | |
| SCHEMBL27112123 | 0.71 | CDK1 (0.33) | — | |
| SCHEMBL12709526 | 0.70 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL22342787 | 0.68 | HCAR3 (0.33) | — | |
| SCHEMBL12874852 | 0.68 | SLC40A1 (0.37) | — | |
| SCHEMBL27112112 | 0.67 | PDE1A (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20240066027-A1 | NOVEL PAR-2 INHIBITORS | DOMAIN THERAPEUTICS (FR) | 2024-02-29 | — | — | US | disclosed |