⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14264370 | 0.74 | CYP2D6 (0.30) | — | |
| SCHEMBL17305961 | 0.72 | — | — | |
| SCHEMBL363653 | 0.72 | — | — | |
| SCHEMBL11266450 | 0.72 | — | — | |
| SCHEMBL3873436 | 0.72 | — | — | |
| SCHEMBL14515499 | 0.72 | — | — | |
| SCHEMBL2080304 | 0.72 | — | — | |
| SCHEMBL14275666 | 0.72 | — | — | |
| SCHEMBL6343324 | 0.70 | TSHR (0.45) | — | |
| SCHEMBL6337539 | 0.70 | TSHR (0.45) | — |
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-8129002-B2 | Compounds for use in liquid crystal media | MERCK PATENT GMBH (DE) | 2012-03-06 | — | — | US | disclosed |
| US-7638641-B2 | Tetrahydropyran derivatives | MERCK PATENT GMBH (DE) | 2009-12-29 | — | — | US | disclosed |
| US-7344761-B2 | Liquid-crystalline compounds | MERCK PATENT GESELLASCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 2008-03-18 | — | — | US | disclosed |