⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL753619 | 0.86 | HPRT1 (0.32) | — | |
| SCHEMBL4830263 | 0.86 | HPRT1 (0.32) | — | |
| SCHEMBL15645373 | 0.78 | ALDH1A1 (0.34) | — | |
| SCHEMBL17063468 | 0.74 | ALDH1A1 (0.35) | — | |
| SCHEMBL17063446 | 0.71 | HPRT1 (0.45) | — | |
| SCHEMBL1666728 | 0.68 | — | — | |
| SCHEMBL17063433 | 0.65 | CA1 (0.37) | — | |
| SCHEMBL4112223 | 0.65 | ALDH1A1 (0.46) | — | |
| SCHEMBL441446 | 0.64 | MAOA (0.45) | — | |
| SCHEMBL16179644 | 0.63 | ALDH1A1 (0.50) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-2002155010-A | DISCOTIC LIQUID CRYSTAL COMPOUND, ELECTROCONDUCTIVE LIQUID CRYSTAL ELEMENT AND ORGANIC ELECTROLUMINESCENT ELEMENT USING THE SAME LIQUID CRYSTAL COMPOUND | CANON INC | 2002-05-28 | — | — | JP | disclosed |