⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7565207 | 0.85 | CA1 (0.30) | — | |
| SCHEMBL8769681 | 0.74 | CA1 (0.36) | — | |
| SCHEMBL8660304 | 0.74 | CA1 (0.30) | — | |
| SCHEMBL7755415 | 0.74 | TSHR (0.35) | — | |
| SCHEMBL8769669 | 0.73 | CA1 (0.32) | — | |
| SCHEMBL7059563 | 0.72 | CES1 (0.33) | — | |
| SCHEMBL7756831 | 0.70 | — | — | |
| SCHEMBL8545324 | 0.69 | CA1 (0.30) | — | |
| SCHEMBL7755228 | 0.69 | CA1 (0.30) | — | |
| SCHEMBL9057034 | 0.69 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0736078-B1 | CHIRAL LIQUID CRYSTAL COMPOUNDS HAVING A PERFLUOROETHER TERMINAL PORTION | MINNESOTA MINING & MFG (US) | 1998-06-24 | — | — | EP | disclosed |
| EP-0736078-A1 | CHIRAL LIQUID CRYSTAL COMPOUNDS HAVING A PERFLUOROETHER TERMINAL PORTION | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1996-10-09 | — | — | EP | disclosed |
| US-5474705-A | Electrooptical displays | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1995-12-12 | — | — | US | disclosed |
| WO-1995017481-A1 | CHIRAL LIQUID CRYSTAL COMPOUNDS HAVING A PERFLUOROETHER TERMINAL PORTION | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1995-06-29 | — | — | WO | disclosed |