⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27785941 | 0.91 | — | — | |
| SCHEMBL27785937 | 0.88 | ADORA2A (0.32) | — | |
| SCHEMBL27785931 | 0.87 | — | — | |
| SCHEMBL27785935 | 0.84 | MAPK1 (0.31) | — | |
| SCHEMBL27785985 | 0.82 | CRHR1 (0.30) | — | |
| SCHEMBL27786093 | 0.81 | LCK (0.30) | — | |
| SCHEMBL27807950 | 0.80 | HRH4 (0.32) | — | |
| SCHEMBL27807960 | 0.80 | ADORA2A (0.35) | — | |
| SCHEMBL27786079 | 0.79 | MEN1 (0.32) | — | |
| SCHEMBL27785990 | 0.78 | HRH4 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-101778849-A | Fused quinoline derivatives useful as gaba modulators | ASTRAZENECA AB | 2010-07-14 | — | — | CN | disclosed |