⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10019566 | 0.81 | — | — | |
| SCHEMBL19993146 | 0.79 | — | — | |
| SCHEMBL19337466 | 0.74 | — | — | |
| SCHEMBL14431187 | 0.69 | — | — | |
| SCHEMBL10019528 | 0.69 | — | — | |
| SCHEMBL20404398 | 0.65 | — | — | |
| SCHEMBL8343722 | 0.65 | — | — | |
| SCHEMBL11915767 | 0.65 | — | — | |
| SCHEMBL14772917 | 0.64 | — | — | |
| SCHEMBL22072784 | 0.63 | NOS3 (0.30) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3303519-B1 | LIQUID-CRYSTALLINE MEDIUM AND HIGH-FREQUENCY COMPONENTS COMPRISING SAME | MERCK PATENT GMBH (DE) | 2021-01-27 | — | — | EP | disclosed |
| EP-2980085-B1 | PYRAZOLE DERIVATIVE | TEIJIN PHARMA LTD (JP) | 2018-03-14 | — | — | EP | disclosed |
| WO-2017142091-A1 | THERAPEUTIC OR PROPHYLACTIC DRUG FOR DEMENTIA | 国立大学法人鳥取大学 | 2017-08-24 | — | — | WO | disclosed |
| US-9296948-B2 | Mesogenic compounds, liquid-crystalline media and components for high-frequency technology | MERCK PATENT GMBH (DE) | 2016-03-29 | — | — | US | disclosed |