⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29336451 | 0.95 | — | — | |
| SCHEMBL21537530 | 0.94 | — | — | |
| SCHEMBL25070645 | 0.91 | ALOX5AP (0.32) | — | |
| SCHEMBL22238945 | 0.90 | MPL (0.30) | — | |
| SCHEMBL29336427 | 0.87 | — | — | |
| SCHEMBL20806204 | 0.83 | ESR1 (0.36) | — | |
| SCHEMBL22241013 | 0.82 | BRS3 (0.31) | — | |
| SCHEMBL29336498 | 0.82 | ESR1 (0.35) | — | |
| SCHEMBL18418564 | 0.82 | — | — | |
| SCHEMBL21608684 | 0.81 | — | — |
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-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 |