⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18820277 | 0.84 | — | — | |
| SCHEMBL18388073 | 0.82 | — | — | |
| SCHEMBL18388093 | 0.80 | — | — | |
| SCHEMBL18388094 | 0.76 | — | — | |
| SCHEMBL21289086 | 0.75 | ALOX5 (0.36) | — | |
| SCHEMBL18411509 | 0.69 | — | — | |
| SCHEMBL18808056 | 0.68 | TDP2 (0.31) | — | |
| SCHEMBL19993393 | 0.61 | TTR (0.30) | — | |
| SCHEMBL18820407 | 0.59 | — | — | |
| SCHEMBL18411506 | 0.59 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-11254872-B2 | Liquid crystal media comprising polymerisable compounds | MERCK PATENT GMBH (DE) | 2022-02-22 | — | — | US | disclosed |