⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19513391 | 0.77 | — | — | |
| SCHEMBL21341263 | 0.69 | — | — | |
| SCHEMBL21341494 | 0.69 | — | — | |
| SCHEMBL21341249 | 0.67 | DAO (0.41) | — | |
| SCHEMBL29342975 | 0.64 | KAT6A (0.40) | — | |
| SCHEMBL19288028 | 0.62 | HSD17B10 (0.39) | — | |
| SCHEMBL21341448 | 0.60 | — | — | |
| SCHEMBL11495524 | 0.59 | — | — | |
| SCHEMBL22603687 | 0.54 | CES2 (0.43) | — | |
| SCHEMBL5545067 | 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 |
|---|---|---|---|---|---|---|---|
| US-20190276744-A1 | LIQUID CRYSTAL COMPOSITION | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2019-09-12 | — | — | US | disclosed |