⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12860960 | 1.00 | — | — | |
| SCHEMBL14290005 | 1.00 | — | — | |
| SCHEMBL13480301 | 1.00 | — | — | |
| SCHEMBL5872389 | 1.00 | — | — | |
| SCHEMBL16921041 | 1.00 | — | — | |
| SCHEMBL8248640 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL23004591 | 0.98 | CTSC (0.35) | — | |
| Hydrochloric Acid SCHEMBL29013660 | 0.98 | CTSC (0.35) | — | |
| Hydrochloric Acid SCHEMBL29013662 | 0.98 | CTSC (0.35) | — | |
| SCHEMBL16399741 | 0.80 | GLI1 (0.36) | — |
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-2006116157-A9 | DIPEPTIDYL PEPTIDASE-IV INHIBITORS | ALANTOS PHARMACEUTICALS INC (US) | 2007-03-01 | — | — | WO | disclosed |