⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19993390 | 0.81 | CYP17A1 (0.32) | — | |
| SCHEMBL19993467 | 0.74 | MAOB (0.30) | — | |
| SCHEMBL22621230 | 0.74 | GPR3 (0.33) | — | |
| SCHEMBL19993402 | 0.73 | CYP17A1 (0.41) | — | |
| SCHEMBL19993392 | 0.72 | CYP17A1 (0.36) | — | |
| SCHEMBL19993285 | 0.72 | TTR (0.33) | — | |
| SCHEMBL19993470 | 0.70 | — | — | |
| SCHEMBL19993395 | 0.68 | — | — | |
| SCHEMBL19993377 | 0.68 | S1PR1 (0.31) | — | |
| SCHEMBL19993407 | 0.68 | S1PR1 (0.33) | — |
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 |