⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17045690 | 0.82 | — | — | |
| SCHEMBL18049533 | 0.81 | KDM4E (0.32) | — | |
| SCHEMBL28125226 | 0.80 | — | — | |
| SCHEMBL7686989 | 0.78 | USP2 (0.37) | — | |
| SCHEMBL2184630 | 0.77 | KDM4E (0.35) | — | |
| SCHEMBL18418905 | 0.77 | TKT (0.35) | — | |
| SCHEMBL9050084 | 0.77 | GAA (0.32) | — | |
| SCHEMBL21960855 | 0.77 | KDM4E (0.35) | — | |
| Hydrochloric Acid SCHEMBL31597735 | 0.76 | PRMT5 (0.35) | — | |
| SCHEMBL19403261 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105593212-A | New phenyl-dihydropyridine derivatives as aldosterone synthase inhibitors | HOFFMANN LA ROCHE | 2016-05-18 | — | — | CN | disclosed |