⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20221158 | 0.88 | — | — | |
| SCHEMBL15113722 | 0.88 | — | — | |
| SCHEMBL15113728 | 0.86 | PRCP (0.34) | — | |
| SCHEMBL20054322 | 0.86 | PRCP (0.34) | — | |
| SCHEMBL20465351 | 0.84 | PRCP (0.31) | — | |
| SCHEMBL15114308 | 0.84 | ADORA1 (0.32) | — | |
| SCHEMBL15116603 | 0.84 | PDE2A (0.32) | — | |
| SCHEMBL19388255 | 0.84 | PDE2A (0.32) | — | |
| SCHEMBL20054451 | 0.84 | ADORA1 (0.32) | — | |
| SCHEMBL19388254 | 0.82 | PARP1 (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 |
|---|---|---|---|---|---|---|---|
| EP-2802326-B1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2018-04-18 | — | — | EP | disclosed |