⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8434551 | 0.89 | AOC3 (0.33) | — | |
| SCHEMBL6977140 | 0.87 | MAOB (0.34) | — | |
| SCHEMBL6966971 | 0.86 | NPC1 (0.33) | — | |
| SCHEMBL8540319 | 0.85 | NPC1 (0.32) | — | |
| SCHEMBL7091443 | 0.85 | NPC1 (0.36) | — | |
| SCHEMBL6966512 | 0.84 | NPC1 (0.39) | — | |
| SCHEMBL6974977 | 0.84 | NPC1 (0.39) | — | |
| SCHEMBL6966514 | 0.84 | NPC1 (0.39) | — | |
| SCHEMBL6974983 | 0.84 | NPC1 (0.39) | — | |
| SCHEMBL8387769 | 0.84 | NPC1 (0.39) | — |
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-0821719-B1 | LIQUID CRYSTAL COMPOUNDS HAVING A CHIRAL FLUORINATED TERMINAL PORTION | MINNESOTA MINING & MFG (US) | 2003-01-02 | — | — | EP | disclosed |
| US-5972241-A | ELECTROOPTICAL APPLICATIONS, IN PARTICULAR THOSE WHICH REQUIRE COMPACT, ENERGY-EFFICIENT, VOLTAGE-CONTROLLED LIGHT VALVES, E.G., WATCHES AND COMPUTERS | 3M INNOVATIVE PROPERTIES COMPANY (US) | 1999-10-26 | — | — | US | disclosed |
| EP-0821719-A1 | LIQUID CRYSTAL COMPOUNDS HAVING A CHIRAL FLUORINATED TERMINAL PORTION | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1998-02-04 | — | — | EP | disclosed |
| WO-1996033251-A1 | LIQUID CRYSTAL COMPOUNDS HAVING A CHIRAL FLUORINATED TERMINAL PORTION | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1996-10-24 | — | — | WO | disclosed |