⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17176822 | 0.95 | — | — | |
| SCHEMBL21608697 | 0.91 | — | — | |
| SCHEMBL19637346 | 0.91 | — | — | |
| SCHEMBL29804674 | 0.88 | — | — | |
| SCHEMBL18217252 | 0.88 | — | — | |
| SCHEMBL22299862 | 0.88 | SMN1; SMN2 (0.30) | — | |
| SCHEMBL19636899 | 0.88 | SMN1; SMN2 (0.30) | — | |
| SCHEMBL16265269 | 0.88 | ESR1 (0.32) | — | |
| SCHEMBL21241716 | 0.87 | SMN1; SMN2 (0.30) | — | |
| SCHEMBL18217165 | 0.87 | — | — |
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 |