⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20664258 | 0.90 | — | — | |
| SCHEMBL20664284 | 0.88 | — | — | |
| SCHEMBL20664331 | 0.88 | — | — | |
| SCHEMBL20664246 | 0.81 | TSHR (0.33) | — | |
| SCHEMBL20664302 | 0.79 | — | — | |
| SCHEMBL13038190 | 0.77 | — | — | |
| SCHEMBL20664264 | 0.74 | TSHR (0.31) | — | |
| SCHEMBL11934383 | 0.73 | ALDH1A1 (0.37) | — | |
| SCHEMBL16803198 | 0.72 | — | — | |
| SCHEMBL13356716 | 0.72 | — | — |
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-2607451-B1 | Liquid crystalline medium | MERCK PATENT GMBH (DE) | 2019-01-23 | — | — | EP | disclosed |