⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10049488 | 0.80 | CXCL8 (0.31) | — | |
| SCHEMBL10049492 | 0.74 | MTNR1A (0.35) | — | |
| SCHEMBL15906873 | 0.72 | SLC6A2 (0.35) | — | |
| SCHEMBL14816985 | 0.69 | SLC6A2 (0.35) | — | |
| SCHEMBL19067836 | 0.66 | GABRA1 (0.35) | — | |
| SCHEMBL15906827 | 0.66 | NOS3 (0.33) | — | |
| SCHEMBL10049491 | 0.65 | PDE7A (0.37) | — | |
| SCHEMBL10262980 | 0.64 | GABRA1 (0.34) | — | |
| SCHEMBL16077958 | 0.64 | GABRA1 (0.35) | — | |
| SCHEMBL18970658 | 0.64 | CNR1 (0.33) | — |
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-2012009369-A1 | CATALYSTS BASED ON QUINOLINE PRECURSORS | BASELL POLYOLEFINE GMBG (DE) | 2012-01-19 | — | — | WO | disclosed |