⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12967911 | 0.83 | — | — | |
| SCHEMBL15810581 | 0.83 | — | — | |
| SCHEMBL16351952 | 0.81 | — | — | |
| SCHEMBL15372621 | 0.81 | — | — | |
| SCHEMBL12020012 | 0.81 | — | — | |
| SCHEMBL14609711 | 0.81 | — | — | |
| SCHEMBL9972443 | 0.81 | — | — | |
| SCHEMBL14019750 | 0.81 | — | — | |
| SCHEMBL13299239 | 0.80 | — | — | |
| SCHEMBL17620924 | 0.80 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20170044438-A1 | LIQUID-CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2017-02-16 | — | — | US | disclosed |