⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27922348 | 0.67 | — | — | |
| SCHEMBL361757 | 0.67 | — | — | |
| SCHEMBL28179800 | 0.61 | — | — | |
| SCHEMBL8933469 | 0.59 | — | — | |
| SCHEMBL27872834 | 0.58 | — | — | |
| SCHEMBL7242213 | 0.58 | — | — | |
| SCHEMBL6708530 | 0.56 | — | — | |
| SCHEMBL225226 | 0.56 | — | — | |
| Phosphine SCHEMBL27751985 | 0.55 | — | — | |
| SCHEMBL28838392 | 0.55 | — | — |
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-102803226-B | Cycloalkyl-substituted imidazole derivatives | DAIICHI SANKYO Co.,Ltd. (JP) | 2016-05-04 | — | — | CN | disclosed |