⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15250409 | 0.87 | MAPT (0.37) | — | |
| SCHEMBL16362020 | 0.80 | — | — | |
| SCHEMBL16749937 | 0.77 | MAPT (0.31) | — | |
| SCHEMBL18067366 | 0.75 | MAPT (0.39) | — | |
| SCHEMBL18368256 | 0.73 | — | — | |
| SCHEMBL16362021 | 0.73 | — | — | |
| SCHEMBL16438994 | 0.71 | — | — | |
| SCHEMBL16362197 | 0.70 | — | — | |
| SCHEMBL16869869 | 0.70 | MAPT (0.38) | — | |
| SCHEMBL16749938 | 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 |
|---|---|---|---|---|---|---|---|
| US-20150036095-A1 | LIQUID CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2015-02-05 | — | — | US | disclosed |