⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3860189 | 0.69 | TEK (0.38) | — | |
| SCHEMBL1906035 | 0.69 | CHRNB2 (0.39) | — | |
| SCHEMBL9295659 | 0.69 | CHRNB2 (0.39) | — | |
| SCHEMBL7529457 | 0.69 | CHRNB2 (0.39) | — | |
| SCHEMBL9211243 | 0.69 | CHRNB2 (0.39) | — | |
| SCHEMBL3860186 | 0.69 | TEK (0.38) | — | |
| Hydrochloric Acid SCHEMBL29790561 | 0.68 | CHRNB2 (0.38) | — | |
| SCHEMBL21654214 | 0.68 | — | — | |
| SCHEMBL9091866 | 0.64 | CA1 (0.40) | — | |
| SCHEMBL8900807 | 0.64 | CA1 (0.40) | — |
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-2007053819-A2 | PYRROLIDINYL BETA-AMINO AMIDE-BASED INHIBITORS OF DIPEPTIDYL PEPTIDASE IV AND METHODS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-05-10 | — | — | WO | disclosed |