⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4595406 | 0.86 | DPP8 (0.35) | — | |
| SCHEMBL8200153 | 0.86 | DPP8 (0.35) | — | |
| SCHEMBL8187686 | 0.86 | DPP8 (0.35) | — | |
| SCHEMBL3372356 | 0.83 | — | — | |
| SCHEMBL8186412 | 0.83 | DPP8 (0.32) | — | |
| SCHEMBL4589829 | 0.79 | — | — | |
| SCHEMBL8193153 | 0.79 | — | — | |
| SCHEMBL3370425 | 0.79 | — | — | |
| SCHEMBL8060885 | 0.74 | XIAP (0.36) | — | |
| SCHEMBL3489591 | 0.72 | CYP3A4 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008070358-A2 | N-CYCLOPROPYL-HYDROXYPROLINE-BASED TRIPEPTIDIC HEPATITIS C SERINE PROTEASE INHIBITORS CONTAINING AN ISOINDOLE, PYRROLOPYRIDINE, PYRROLOPYRIMIDINE OR PYRROLOPYRAZINE HETEROCYCLE IN THE SIDE CHAIN | PHENOMIX CORPORATION (US) | 2008-06-12 | — | — | WO | disclosed |