⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3601162 | 0.87 | DPP4 (0.39) | — | |
| SCHEMBL3526616 | 0.87 | DPP4 (0.39) | — | |
| SCHEMBL6234921 | 0.87 | DPP4 (0.39) | — | |
| SCHEMBL185999 | 0.85 | CHRM2 (0.39) | — | |
| SCHEMBL16054584 | 0.77 | — | — | |
| SCHEMBL14834279 | 0.77 | — | — | |
| SCHEMBL23878064 | 0.77 | LMNA (0.30) | — | |
| SCHEMBL23878062 | 0.77 | LMNA (0.30) | — | |
| SCHEMBL5015154 | 0.77 | FASN (0.41) | — | |
| SCHEMBL19615519 | 0.74 | CHRM2 (0.30) | — |
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-2005007083-A2 | CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2005-01-27 | — | — | WO | disclosed |