⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24184732 | 0.79 | — | — | |
| SCHEMBL22593457 | 0.79 | — | — | |
| SCHEMBL19624463 | 0.71 | MAPT (0.32) | — | |
| SCHEMBL20119147 | 0.70 | — | — | |
| SCHEMBL802733 | 0.68 | ALDH1A1 (0.40) | — | |
| SCHEMBL15281062 | 0.60 | ALDH1A1 (0.39) | — | |
| SCHEMBL19193114 | 0.59 | CASP3 (0.31) | — | |
| SCHEMBL6850987 | 0.58 | GSK3A (0.44) | — | |
| SCHEMBL13878863 | 0.58 | DUSP3 (0.35) | — | |
| SCHEMBL18512400 | 0.58 | ALDH1A1 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2024132893-A1 | LIQUID-CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2024-06-27 | — | — | WO | disclosed |
| WO-2022122780-A1 | LIQUID CRYSTAL MIXTURE AND LIQUID CRYSTAL DISPLAY | MERCK PATENT GMBH (DE) | 2022-06-16 | — | — | WO | disclosed |