⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6712898 | 1.00 | — | — | |
| SCHEMBL3050342 | 0.70 | — | — | |
| SCHEMBL15983793 | 0.67 | — | — | |
| SCHEMBL15929788 | 0.67 | — | — | |
| SCHEMBL14141092 | 0.63 | — | — | |
| SCHEMBL11128841 | 0.62 | — | — | |
| SCHEMBL38652945 | 0.61 | — | — | |
| SCHEMBL22570557 | 0.61 | MTNR1A (0.31) | — | |
| SCHEMBL7158743 | 0.61 | MTNR1A (0.31) | — | |
| SCHEMBL10151005 | 0.60 | MAP3K14 (0.38) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20040249152-A1 | Method for the production of cna | NANOGEN RECOGNOMICS GMBH (DE) | 2004-12-09 | — | — | US | claimed |
| US-20040249152-A1 | Method for the production of cna | NANOGEN RECOGNOMICS GMBH (DE) | 2004-12-09 | — | — | US | disclosed |