⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21371637 | 0.49 | — | — | |
| SCHEMBL1173857 | 0.35 | — | — | |
| SCHEMBL380648 | 0.30 | — | — | |
| Water SCHEMBL28306090 | 0.25 | — | — | |
| SCHEMBL16144812 | 0.25 | — | — | |
| SCHEMBL29594612 | 0.25 | — | — | |
| SCHEMBL31137871 | 0.25 | — | — | |
| SCHEMBL30791003 | 0.25 | — | — | |
| SCHEMBL958835 | 0.24 | — | — | |
| Methane SCHEMBL23044967 | 0.21 | — | — |
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-2005040095-A1 | INHIBITORS OF DIPEPTIDYL PEPTIDASE IV | ASTRAZENECA AB (SE) | 2005-05-06 | — | — | WO | disclosed |