⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL850575 | 0.85 | PTH1R (0.41) | — | |
| SCHEMBL850576 | 0.85 | PTH1R (0.41) | — | |
| SCHEMBL848095 | 0.85 | PTH1R (0.41) | — | |
| SCHEMBL848094 | 0.85 | PTH1R (0.41) | — | |
| SCHEMBL17445298 | 0.81 | ALDH1A1 (0.31) | — | |
| SCHEMBL849874 | 0.75 | PTH1R (0.38) | — | |
| SCHEMBL849872 | 0.75 | PTH1R (0.38) | — | |
| SCHEMBL847173 | 0.75 | PTH1R (0.38) | — | |
| SCHEMBL847174 | 0.75 | PTH1R (0.38) | — | |
| SCHEMBL847175 | 0.75 | PTH1R (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20160016956-A1 | SPIROIMIDAZOLONE DERIVATIVE | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2016-01-21 | — | — | US | disclosed |