⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28002236 | 0.66 | — | — | |
| SCHEMBL28002555 | 0.65 | — | — | |
| SCHEMBL2305441 | 0.60 | — | — | |
| SCHEMBL1332708 | 0.60 | — | — | |
| SCHEMBL27883611 | 0.60 | — | — | |
| SCHEMBL30816261 | 0.57 | — | — | |
| SCHEMBL11595046 | 0.56 | — | — | |
| SCHEMBL11785666 | 0.56 | — | — | |
| SCHEMBL2801114 | 0.54 | — | — | |
| SCHEMBL1268348 | 0.54 | — | — |
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-101309900-B | Substituted cycloalkene derivative | DAIICHI SANKYO CO LTD | 2015-04-22 | — | — | CN | disclosed |