⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2930149 | 0.85 | NR1H2 (0.40) | — | |
| SCHEMBL3374640 | 0.78 | NR1H2 (0.30) | — | |
| SCHEMBL9281460 | 0.65 | — | — | |
| SCHEMBL29072087 | 0.64 | CTSK (0.38) | — | |
| SCHEMBL29072088 | 0.64 | CTSK (0.38) | — | |
| SCHEMBL3375919 | 0.63 | GABRR1 (0.30) | — | |
| SCHEMBL18340860 | 0.63 | DPP4 (0.30) | — | |
| SCHEMBL17747764 | 0.63 | GABRR1 (0.30) | — | |
| SCHEMBL2541422 | 0.63 | DPP4 (0.30) | — | |
| SCHEMBL18261305 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1863477-B1 | 3,4-SUBSTITUTED PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF HYPERTENSION | NOVARTIS AG (CH) | 2010-11-03 | — | — | EP | disclosed |