⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12841006 | 0.75 | MAPT (0.35) | — | |
| SCHEMBL18435860 | 0.71 | — | — | |
| SCHEMBL18468413 | 0.71 | — | — | |
| SCHEMBL12075662 | 0.68 | — | — | |
| SCHEMBL9921148 | 0.68 | — | — | |
| SCHEMBL19157826 | 0.67 | ALDH1A1 (0.35) | — | |
| SCHEMBL15704428 | 0.66 | — | — | |
| SCHEMBL19937441 | 0.65 | — | — | |
| SCHEMBL21418119 | 0.64 | — | — | |
| SCHEMBL13505119 | 0.64 | — | — |
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-3322769-B1 | METHOD OF REDUCING ODF MURA IN POLYMER STABILISED LIQUID CRYSTAL DISPLAYS | MERCK PATENT GMBH (DE) | 2019-03-20 | — | — | EP | disclosed |