⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2053529 | 0.84 | — | — | |
| SCHEMBL28774451 | 0.82 | HTT (0.35) | — | |
| Hydrochloric Acid SCHEMBL10751412 | 0.80 | HTT (0.34) | — | |
| SCHEMBL9660315 | 0.79 | — | — | |
| SCHEMBL28210541 | 0.74 | HTT (0.42) | — | |
| SCHEMBL9036814 | 0.67 | — | — | |
| SCHEMBL132799 | 0.65 | — | — | |
| SCHEMBL299670 | 0.65 | — | — | |
| SCHEMBL335433 | 0.65 | — | — | |
| SCHEMBL4368176 | 0.64 | L3MBTL1 (0.42) | — |
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 |