⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16362197 | 0.95 | — | — | |
| SCHEMBL15586855 | 0.87 | — | — | |
| SCHEMBL15981292 | 0.83 | — | — | |
| SCHEMBL13299248 | 0.73 | — | — | |
| SCHEMBL16438992 | 0.73 | — | — | |
| SCHEMBL12769135 | 0.73 | — | — | |
| SCHEMBL12769137 | 0.73 | — | — | |
| SCHEMBL15250409 | 0.71 | MAPT (0.37) | — | |
| SCHEMBL13299264 | 0.70 | — | — | |
| SCHEMBL18368255 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20170044438-A1 | LIQUID-CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2017-02-16 | — | — | US | disclosed |
| US-20170002267-A1 | Liquid Crystal Medium | MERCK PATENT GMBH (DE) | 2017-01-05 | — | — | US | disclosed |