⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18418554 | 0.95 | ERCC5 (0.32) | — | |
| SCHEMBL21537419 | 0.84 | APP (0.33) | — | |
| SCHEMBL18418558 | 0.84 | RARA (0.33) | — | |
| SCHEMBL21537517 | 0.82 | — | — | |
| SCHEMBL22238922 | 0.79 | APP (0.37) | — | |
| SCHEMBL20975634 | 0.79 | RARA (0.33) | — | |
| SCHEMBL16265228 | 0.75 | APP (0.36) | — | |
| SCHEMBL16265238 | 0.74 | CYP3A4 (0.36) | — | |
| SCHEMBL21134077 | 0.73 | APP (0.40) | — | |
| SCHEMBL2671959 | 0.73 | CYP2D6 (0.50) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3458549-B1 | LIQUID-CRYSTAL MATERIAL | MERCK PATENT GMBH (DE) | 2020-07-22 | — | — | EP | disclosed |
| EP-3400271-B1 | LIQUID-CRYSTALLINE MIXTURES | MERCK PATENT GMBH (DE) | 2020-07-22 | — | — | EP | disclosed |
| WO-2017198637-A1 | LIQUID-CRYSTAL MATERIAL | MERCK PATENT GMBH (DE) | 2017-11-23 | — | — | WO | disclosed |