⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL413511 | 0.84 | — | — | |
| SCHEMBL4556311 | 0.84 | — | — | |
| SCHEMBL11261350 | 0.75 | — | — | |
| SCHEMBL27450 | 0.68 | — | — | |
| Hydrochloric Acid SCHEMBL7460702 | 0.66 | MGLL (0.35) | — | |
| SCHEMBL11732942 | 0.66 | — | — | |
| SCHEMBL11732921 | 0.66 | — | — | |
| SCHEMBL9591052 | 0.65 | RECQL (0.44) | — | |
| SCHEMBL9308819 | 0.65 | RECQL (0.44) | — | |
| Hydrochloric Acid SCHEMBL27286724 | 0.64 | RECQL (0.43) | — |
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-2011088031-A1 | COMPOUNDS AND METHODS | GLAXOSMITHKLINE LLC (US) | 2011-07-21 | — | — | WO | disclosed |