⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15180939 | 0.85 | CYP11B1 (0.31) | — | |
| SCHEMBL13002705 | 0.80 | CYP11B1 (0.33) | — | |
| SCHEMBL14749542 | 0.80 | — | — | |
| SCHEMBL15180942 | 0.79 | CYP11B1 (0.34) | — | |
| SCHEMBL27322007 | 0.79 | CYP11B1 (0.37) | — | |
| SCHEMBL9763646 | 0.74 | — | — | |
| SCHEMBL30678027 | 0.74 | FFAR4 (0.33) | — | |
| SCHEMBL13408477 | 0.73 | — | — | |
| SCHEMBL16710253 | 0.72 | — | — | |
| SCHEMBL18709343 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2013034219-A1 | LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DISPLAY | MERCK PATENT GMBH (DE) | 2013-03-14 | — | — | WO | disclosed |
| WO-2012163470-A1 | LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DISPLAY | MERCK PATENT GMBH (DE) | 2012-12-06 | — | — | WO | disclosed |