⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1263624 | 0.80 | LMNA (0.35) | — | |
| SCHEMBL2749936 | 0.80 | CYP3A4 (0.32) | — | |
| SCHEMBL816717 | 0.76 | LMNA (0.33) | — | |
| SCHEMBL11501561 | 0.76 | CYP3A4 (0.30) | — | |
| SCHEMBL9843033 | 0.72 | — | — | |
| SCHEMBL5095804 | 0.72 | LMNA (0.38) | — | |
| SCHEMBL11751623 | 0.72 | — | — | |
| SCHEMBL13964572 | 0.72 | LMNA (0.38) | — | |
| SCHEMBL12079639 | 0.71 | LMNA (0.33) | — | |
| SCHEMBL6377772 | 0.71 | ALDH1A1 (0.42) | — |
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-8999198-B2 | Compounds for a liquid-crystalline medium, and the use thereof for high-frequency components | MERCK PATENT GMBH (DE) | 2015-04-07 | — | — | US | disclosed |
| US-20130221274-A1 | COMPOUNDS FOR A LIQUID-CRYSTALLINE MEDIUM, AND THE USE THEREOF FOR HIGH-FREQUENCY COMPONENTS | MERCK PATENT GMBH (DE) | 2013-08-29 | — | — | US | disclosed |