⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16363111 | 0.95 | — | — | |
| SCHEMBL12967835 | 0.86 | — | — | |
| SCHEMBL16351969 | 0.82 | — | — | |
| SCHEMBL16071913 | 0.77 | — | — | |
| SCHEMBL15752239 | 0.77 | — | — | |
| SCHEMBL20102770 | 0.75 | CYP1A2 (0.31) | — | |
| SCHEMBL19506681 | 0.74 | — | — | |
| SCHEMBL9972370 | 0.74 | — | — | |
| SCHEMBL19159507 | 0.72 | ALDH1A1 (0.31) | — | |
| SCHEMBL14555144 | 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 |
|---|---|---|---|---|---|---|---|
| US-20170002267-A1 | Liquid Crystal Medium | MERCK PATENT GMBH (DE) | 2017-01-05 | — | — | US | disclosed |