⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21101837 | 0.90 | DPP4 (0.33) | — | |
| SCHEMBL2841634 | 0.74 | — | — | |
| SCHEMBL21428021 | 0.69 | MME (0.31) | — | |
| Hydrochloric Acid SCHEMBL27858364 | 0.65 | — | — | |
| SCHEMBL2842008 | 0.65 | USP2 (0.30) | — | |
| SCHEMBL9162035 | 0.64 | CYP2C19 (0.45) | — | |
| SCHEMBL5263056 | 0.64 | — | — | |
| SCHEMBL8124456 | 0.64 | USP2 (0.33) | — | |
| SCHEMBL25282701 | 0.63 | — | — | |
| SCHEMBL21917417 | 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 |
|---|---|---|---|---|---|---|---|
| US-9670166-B2 | Substituted bicyclic dihydropyrimidinones and their use as inhibitors of neutrophil elastase activity | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2017-06-06 | — | — | US | disclosed |