⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21232292 | 0.99 | PPARD (0.30) | — | |
| SCHEMBL18646385 | 0.96 | — | — | |
| SCHEMBL18646686 | 0.96 | — | — | |
| SCHEMBL18646681 | 0.96 | — | — | |
| SCHEMBL21232211 | 0.96 | TSHR (0.30) | — | |
| SCHEMBL21232272 | 0.95 | PPARD (0.30) | — | |
| SCHEMBL21232349 | 0.95 | PPARD (0.30) | — | |
| SCHEMBL18646389 | 0.94 | — | — | |
| SCHEMBL21115840 | 0.94 | FFAR4 (0.30) | — | |
| SCHEMBL18646386 | 0.92 | — | — |
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-3502209-B1 | LIQUID-CRYSTALLINE MEDIA HAVING HOMEOTROPIC ALIGNMENT | MERCK PATENT GMBH (DE) | 2020-10-14 | — | — | EP | disclosed |
| EP-3502209-A1 | LIQUID-CRYSTALLINE MEDIA HAVING HOMEOTROPIC ALIGNMENT | Merck Patent GmbH (DE) | 2019-06-26 | — | — | EP | disclosed |