⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14640085 | 0.94 | — | — | |
| SCHEMBL16351950 | 0.87 | — | — | |
| SCHEMBL9548160 | 0.87 | — | — | |
| SCHEMBL172369 | 0.87 | — | — | |
| SCHEMBL10347588 | 0.87 | — | — | |
| SCHEMBL254814 | 0.79 | — | — | |
| SCHEMBL108304 | 0.79 | — | — | |
| SCHEMBL12235366 | 0.79 | — | — | |
| SCHEMBL19393896 | 0.78 | ALDH1A1 (0.30) | — | |
| SCHEMBL4547601 | 0.76 | EPHX2 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3130650-A1 | LIQUID-CRYSTALLINE MEDIUM | Merck Patent GmbH (DE) | 2017-02-15 | — | — | EP | disclosed |
| WO-2015090565-A1 | METHOD FOR CLEANING A LIQUID CRYSTAL MIXTURE | MERCK PATENT GMBH (DE) | 2015-06-25 | — | — | WO | disclosed |