⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28116499 | 0.91 | OPRL1 (0.32) | — | |
| Hydrochloric Acid SCHEMBL3382364 | 0.89 | GNAI3 (0.32) | — | |
| SCHEMBL24932469 | 0.75 | OPRL1 (0.31) | — | |
| SCHEMBL1073826 | 0.74 | OPRL1 (0.33) | — | |
| SCHEMBL23953159 | 0.73 | GNAI3 (0.31) | — | |
| SCHEMBL23073712 | 0.73 | — | — | |
| SCHEMBL2289717 | 0.72 | — | — | |
| SCHEMBL597791 | 0.72 | — | — | |
| SCHEMBL24448939 | 0.72 | MMP8 (0.33) | — | |
| SCHEMBL11949478 | 0.72 | MMP1 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3081621-B1 | LIQUID CRYSTAL DISPLAY DEVICE AND LIQUID CRYSTAL COMPOSITION USED THEREFOR | SAMSUNG DISPLAY CO LTD (KR) | 2019-06-12 | — | — | EP | disclosed |