⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL843085 | 0.83 | — | — | |
| SCHEMBL578610 | 0.76 | ITGB2 (0.35) | — | |
| SCHEMBL4128634 | 0.72 | — | — | |
| SCHEMBL22695023 | 0.69 | — | — | |
| SCHEMBL15926128 | 0.69 | — | — | |
| SCHEMBL4142370 | 0.67 | — | — | |
| SCHEMBL4148152 | 0.67 | ALDH1A1 (0.40) | — | |
| SCHEMBL1201550 | 0.67 | CYP11B1 (0.33) | — | |
| SCHEMBL909876 | 0.64 | ALDH1A1 (0.41) | — | |
| SCHEMBL1313301 | 0.64 | SIGMAR1 (0.39) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2648517-A1 | TRICYCLIC HETEROCYCLES USEFUL AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2013-10-16 | — | — | EP | disclosed |
| WO-2012078448-A1 | TRICYCLIC HETEROCYCLES USEFUL AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS | SCHERING CORPORATION (US) | 2012-06-14 | — | — | WO | disclosed |