⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27807944 | 0.86 | AKT1 (0.30) | — | |
| SCHEMBL28784328 | 0.84 | PIK3CA (0.38) | — | |
| SCHEMBL28787383 | 0.82 | — | — | |
| SCHEMBL27807990 | 0.81 | GABRG2 (0.35) | — | |
| SCHEMBL27807954 | 0.81 | — | — | |
| SCHEMBL27786205 | 0.80 | GABRG2 (0.34) | — | |
| SCHEMBL27785971 | 0.79 | GABRG2 (0.33) | — | |
| SCHEMBL27807962 | 0.78 | — | — | |
| SCHEMBL27807968 | 0.78 | — | — | |
| SCHEMBL27807983 | 0.78 | GABRG2 (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 |
|---|---|---|---|---|---|---|---|
| CN-101778849-A | Fused quinoline derivatives useful as gaba modulators | ASTRAZENECA AB | 2010-07-14 | — | — | CN | disclosed |