⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7839958 | 0.62 | — | — | |
| SCHEMBL4256305 | 0.58 | CA12 (0.44) | — | |
| SCHEMBL4264227 | 0.58 | CA1 (0.35) | — | |
| SCHEMBL4257927 | 0.58 | ABCC8 (0.49) | — | |
| SCHEMBL3873454 | 0.57 | CA12 (0.33) | — | |
| SCHEMBL7418328 | 0.51 | — | — | |
| SCHEMBL7416987 | 0.51 | — | — | |
| SCHEMBL17886220 | 0.51 | PDE7A (0.32) | — | |
| SCHEMBL1820046 | 0.49 | — | — | |
| SCHEMBL7990423 | 0.49 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6232310-B1 | ANTIDIABETIC AGENTS | NOVO NORDISK A/S (DK) | 2001-05-15 | — | — | US | disclosed |