⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12285105 | 0.96 | — | — | |
| SCHEMBL9999655 | 0.93 | — | — | |
| SCHEMBL9999654 | 0.87 | ESR1 (0.30) | — | |
| SCHEMBL25636444 | 0.78 | PRKCE (0.35) | — | |
| SCHEMBL18220628 | 0.75 | ACHE (0.42) | — | |
| SCHEMBL18220629 | 0.72 | ACHE (0.34) | — | |
| SCHEMBL14616322 | 0.66 | ACHE (0.34) | — | |
| SCHEMBL13559928 | 0.63 | ACHE (0.37) | — | |
| SCHEMBL2190883 | 0.62 | ACHE (0.44) | — | |
| SCHEMBL2605552 | 0.61 | ESR2 (0.52) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018025872-A1 | LIQUID CRYSTAL DISPLAY ELEMENT EQUIPPED WITH LIQUID CRYSTAL PANEL HAVING CURVED SURFACE AND LIQUID CRYSTAL ALIGNING AGENT FOR SAME | 日産化学工業株式会社 | 2018-02-08 | — | — | WO | disclosed |