⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6606324 | 0.82 | — | — | |
| SCHEMBL17185692 | 0.67 | — | — | |
| SCHEMBL18184542 | 0.62 | — | — | |
| SCHEMBL16054584 | 0.60 | — | — | |
| SCHEMBL14343223 | 0.59 | DPP4 (0.33) | — | |
| SCHEMBL14343309 | 0.59 | DPP4 (0.33) | — | |
| SCHEMBL9585978 | 0.59 | DPP4 (0.33) | — | |
| SCHEMBL20207147 | 0.58 | — | — | |
| SCHEMBL13035835 | 0.58 | — | — | |
| SCHEMBL4357889 | 0.58 | — | — |
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-2004071454-A2 | SUBSTITUTED AZETIDINE COMPOUNDS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE IV | GUILFORD PHARMACEUTICALS INC. (US) | 2004-08-26 | — | — | WO | disclosed |