⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16636250 | 0.76 | — | — | |
| SCHEMBL10980451 | 0.76 | — | — | |
| SCHEMBL10980459 | 0.74 | — | — | |
| SCHEMBL28230545 | 0.73 | — | — | |
| SCHEMBL28197965 | 0.73 | TDP1 (0.33) | — | |
| SCHEMBL5609192 | 0.70 | — | — | |
| SCHEMBL1318794 | 0.70 | — | — | |
| SCHEMBL7216460 | 0.70 | — | — | |
| SCHEMBL21751757 | 0.70 | — | — | |
| SCHEMBL18174000 | 0.70 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7344761-B2 | Liquid-crystalline compounds | MERCK PATENT GESELLASCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 2008-03-18 | — | — | US | disclosed |
| US-20070034828-A1 | Containing 3 directly connected rings: a fluorophenyl ring, a tetrahydropyran ring and either another tetrahydropyran ring or a 1,3-dioxane ring; electrooptical displays; | MERCK PATENT GMBH (DE) | 2007-02-15 | — | — | US | disclosed |
| WO-2004106459-A1 | LIQUID CRYSTALLINE COMPOUNDS | MERCK PATENT GMBH (DE) | 2004-12-09 | — | — | WO | disclosed |