⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27578743 | 0.81 | MAPT (0.34) | — | |
| SCHEMBL28551833 | 0.77 | THRB (0.34) | — | |
| SCHEMBL28725992 | 0.76 | — | — | |
| SCHEMBL28613712 | 0.76 | — | — | |
| SCHEMBL27937488 | 0.75 | — | — | |
| SCHEMBL3220189 | 0.75 | — | — | |
| SCHEMBL30945287 | 0.73 | — | — | |
| SCHEMBL8827273 | 0.73 | — | — | |
| SCHEMBL28521328 | 0.73 | CA12 (0.36) | — | |
| Hydrochloric Acid SCHEMBL30664889 | 0.72 | — | — |
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-5076961-A | MESOMORPHIC COMPOUND, LIQUID CRYSTAL COMPOSITION CONTAINING SAME AND LIQUID CRYSTAL DEVICE USING SAME | CANON KABUSHIKI KAISHA (JP) | 1991-12-31 | — | — | US | disclosed |