⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17120518 | 0.99 | — | — | |
| SCHEMBL16803179 | 0.85 | — | — | |
| SCHEMBL12321822 | 0.84 | — | — | |
| SCHEMBL16855485 | 0.84 | — | — | |
| SCHEMBL17309282 | 0.74 | — | — | |
| SCHEMBL14555118 | 0.73 | — | — | |
| SCHEMBL17794410 | 0.73 | — | — | |
| SCHEMBL12351464 | 0.69 | — | — | |
| SCHEMBL12698777 | 0.68 | — | — | |
| SCHEMBL16844802 | 0.68 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2016146245-A1 | LIQUID-CRYSTAL MEDIUM | MERCK PATENT GMBH (DE) | 2016-09-22 | — | — | WO | disclosed |
| WO-2016082922-A1 | LIQUID CRYSTAL MEDIUM | MERCK PATENT GMBH (DE) | 2016-06-02 | — | — | WO | disclosed |
| WO-2015180830-A1 | LIQUID CRYSTAL MEDIUM | MERCK PATENT GMBH (DE) | 2015-12-03 | — | — | WO | disclosed |
| WO-2014090362-A1 | LIQUID-CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2014-06-19 | — | — | WO | disclosed |