⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11370279 | 0.94 | — | — | |
| SCHEMBL9607888 | 0.82 | — | — | |
| SCHEMBL24800908 | 0.82 | — | — | |
| SCHEMBL13673470 | 0.72 | — | — | |
| SCHEMBL9912596 | 0.71 | — | — | |
| SCHEMBL9613617 | 0.70 | — | — | |
| SCHEMBL9613632 | 0.70 | — | — | |
| SCHEMBL9613622 | 0.70 | — | — | |
| SCHEMBL14158992 | 0.69 | — | — | |
| SCHEMBL9607779 | 0.67 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3127991-A1 | LIQUID CRYSTALLINE MEDIUM | Merck Patent GmbH (DE) | 2017-02-08 | — | — | EP | disclosed |