⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3623295 | 1.00 | — | — | |
| SCHEMBL2734737 | 0.88 | TSHR (0.65) | — | |
| SCHEMBL5055839 | 0.86 | TSHR (0.62) | — | |
| SCHEMBL3620335 | 0.86 | TSHR (0.69) | — | |
| SCHEMBL8459607 | 0.84 | TSHR (0.67) | — | |
| SCHEMBL3619125 | 0.84 | TSHR (0.67) | — | |
| SCHEMBL3625681 | 0.84 | TSHR (0.67) | — | |
| SCHEMBL21678801 | 0.84 | TSHR (0.67) | — | |
| SCHEMBL21678806 | 0.84 | TSHR (0.67) | — | |
| SCHEMBL11573330 | 0.83 | TSHR (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1042302-B1 | LIQUID CRYSTAL COMPOUNDS HAVING A CHIRAL FLUORINATED TERMINAL PORTION | MINNESOTA MINING & MFG (US) | 2003-09-24 | — | — | EP | disclosed |
| US-6309561-B1 | Liquid crystal compounds having a chiral fluorinated terminal portion | 3M INNOVATIVE PROPERTIES COMPANY | 2001-10-30 | — | — | US | disclosed |
| EP-1042302-A1 | LIQUID CRYSTAL COMPOUNDS HAVING A CHIRAL FLUORINATED TERMINAL PORTION | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 2000-10-11 | — | — | EP | disclosed |
| WO-1999033814-A1 | LIQUID CRYSTAL COMPOUNDS HAVING A CHIRAL FLUORINATED TERMINAL PORTION | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1999-07-08 | — | — | WO | disclosed |