⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8176599 | 0.72 | NPC1 (0.38) | — | |
| SCHEMBL8175177 | 0.72 | AAK1 (0.31) | — | |
| SCHEMBL7904581 | 0.69 | — | — | |
| SCHEMBL687572 | 0.64 | MAPT (0.39) | — | |
| SCHEMBL9052956 | 0.64 | — | — | |
| SCHEMBL676300 | 0.63 | TDP1 (0.42) | — | |
| SCHEMBL677792 | 0.63 | CYP1A2 (0.44) | — | |
| SCHEMBL11022484 | 0.63 | L3MBTL1 (0.37) | — | |
| SCHEMBL9055258 | 0.62 | — | — | |
| SCHEMBL677544 | 0.62 | MEN1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1135450-A1 | CHIRAL LIQUID CRYSTAL COMPOUNDS HAVING A FLUORINATED TERMINAL PORTION | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 2001-09-26 | — | — | EP | disclosed |
| WO-2000031210-A1 | CHIRAL LIQUID CRYSTAL COMPOUNDS HAVING A FLUORINATED TERMINAL PORTION | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 2000-06-02 | — | — | WO | disclosed |