⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24462209 | 0.90 | SLC6A4 (0.31) | — | |
| SCHEMBL26802167 | 0.90 | SLC6A4 (0.31) | — | |
| SCHEMBL14922521 | 0.90 | PTGDR2 (0.32) | — | |
| SCHEMBL2215512 | 0.90 | CCNT1 (0.31) | — | |
| SCHEMBL13922709 | 0.90 | CCNT1 (0.31) | — | |
| SCHEMBL29324767 | 0.90 | CYP1A2 (0.33) | — | |
| SCHEMBL29324791 | 0.89 | — | — | |
| SCHEMBL24462202 | 0.88 | FFAR1 (0.32) | — | |
| SCHEMBL24462296 | 0.88 | HPGD (0.32) | — | |
| SCHEMBL29324418 | 0.88 | CCNT1 (0.32) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4400561-A1 | LIQUID-CRYSTAL MEDIUM | Merck Patent GmbH (DE) | 2024-07-17 | — | — | EP | disclosed |