⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29332176 | 0.96 | — | — | |
| SCHEMBL18418564 | 0.95 | — | — | |
| SCHEMBL20975639 | 0.93 | — | — | |
| SCHEMBL22299731 | 0.93 | RARB (0.32) | — | |
| SCHEMBL20975638 | 0.92 | PDK2 (0.31) | — | |
| SCHEMBL29331965 | 0.92 | — | — | |
| SCHEMBL22338526 | 0.89 | — | — | |
| SCHEMBL21608681 | 0.88 | RARB (0.30) | — | |
| SCHEMBL17176890 | 0.87 | — | — | |
| SCHEMBL29331969 | 0.86 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019243216-A1 | LIQUID CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2019-12-26 | — | — | WO | disclosed |