⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8381497 | 0.85 | — | — | |
| SCHEMBL7378319 | 0.83 | DPP4 (0.36) | — | |
| Hydrochloric Acid SCHEMBL6338693 | 0.82 | DPP4 (0.35) | — | |
| SCHEMBL6967777 | 0.78 | ALDH1A1 (0.33) | — | |
| SCHEMBL5978676 | 0.75 | FKBP1A (0.40) | — | |
| SCHEMBL29407301 | 0.73 | HSD11B1 (0.32) | — | |
| SCHEMBL8604933 | 0.73 | GRIN2B (0.30) | — | |
| SCHEMBL6779162 | 0.72 | DPP4 (0.34) | — | |
| Hydrochloric Acid SCHEMBL6563452 | 0.71 | DPP4 (0.33) | — | |
| SCHEMBL8381838 | 0.71 | DPP4 (0.43) | — |
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-0833839-B1 | PEPTIDYL HETEROCYCLES USEFUL IN THE TREATMENT OF THROMBIN RELATED DISORDERS | ORTHO PHARMA CORP (US) | 2003-01-08 | — | — | EP | disclosed |