⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8079127 | 0.84 | CES1 (0.35) | — | |
| SCHEMBL8075877 | 0.82 | CA2 (0.30) | — | |
| SCHEMBL8074146 | 0.79 | CA2 (0.30) | — | |
| SCHEMBL4984777 | 0.75 | — | — | |
| SCHEMBL7152022 | 0.72 | — | — | |
| SCHEMBL5493918 | 0.71 | CA1 (0.41) | — | |
| SCHEMBL7146175 | 0.71 | — | — | |
| SCHEMBL29241703 | 0.69 | — | — | |
| SCHEMBL8066058 | 0.67 | ALDH1A1 (0.33) | — | |
| SCHEMBL25135365 | 0.67 | ALDH1A1 (0.32) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0646636-B1 | Liquid crystal compounds having a fluoroether terminal portion | MINNESOTA MINING & MFG (US) | 2000-08-23 | — | — | EP | disclosed |
| EP-0646636-A1 | Liquid crystal compounds having a fluoroether terminal portion | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1995-04-05 | — | — | EP | disclosed |
| US-5399291-A | Liquid crystal compounds having a fluoroether terminal portion | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1995-03-21 | — | — | US | disclosed |