⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19604214 | 0.70 | — | — | |
| SCHEMBL8544628 | 0.69 | — | — | |
| SCHEMBL14198600 | 0.69 | — | — | |
| SCHEMBL21719918 | 0.64 | — | — | |
| SCHEMBL21718634 | 0.64 | — | — | |
| SCHEMBL2185595 | 0.64 | — | — | |
| SCHEMBL21719824 | 0.64 | — | — | |
| SCHEMBL24968769 | 0.64 | ALDH1A1 (0.37) | — | |
| SCHEMBL4825789 | 0.64 | ADORA2A (0.31) | — | |
| SCHEMBL21719905 | 0.61 | — | — |
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-20210038606-A1 | Modulators of Rho-associated Protein Kinase | REDX PHARMA LIMITED (GB) | 2021-02-11 | — | — | US | disclosed |