⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31690708 | 0.75 | — | — | |
| SCHEMBL12137042 | 0.72 | — | — | |
| SCHEMBL1038999 | 0.72 | — | — | |
| SCHEMBL1317283 | 0.72 | — | — | |
| SCHEMBL1039657 | 0.72 | — | — | |
| SCHEMBL11610753 | 0.67 | — | — | |
| SCHEMBL6054884 | 0.62 | — | — | |
| SCHEMBL10835163 | 0.62 | — | — | |
| SCHEMBL14129196 | 0.62 | — | — | |
| SCHEMBL5667842 | 0.62 | — | — |
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-4751017-A | LIQUID CRYSTALS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1988-06-14 | — | — | US | disclosed |