⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19993394 | 0.77 | TTR (0.31) | — | |
| SCHEMBL19993399 | 0.75 | PTGS2 (0.34) | — | |
| SCHEMBL19993470 | 0.72 | — | — | |
| SCHEMBL19993390 | 0.72 | CYP17A1 (0.32) | — | |
| SCHEMBL19993469 | 0.72 | TTR (0.33) | — | |
| SCHEMBL19993402 | 0.71 | CYP17A1 (0.41) | — | |
| SCHEMBL19993285 | 0.69 | TTR (0.33) | — | |
| SCHEMBL20047130 | 0.68 | RIPK1 (0.34) | — | |
| SCHEMBL19083122 | 0.67 | LOXL2 (0.38) | — | |
| SCHEMBL19993389 | 0.63 | LOXL2 (0.38) | — |
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-3512920-B1 | LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DEVICE | MERCK PATENT GMBH (DE) | 2020-11-04 | — | — | EP | disclosed |
| WO-2018050573-A1 | LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DEVICE | MERCK PATENT GMBH (DE) | 2018-03-22 | — | — | WO | disclosed |