⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16749940 | 0.95 | — | — | |
| SCHEMBL18084062 | 0.87 | MAPT (0.32) | — | |
| SCHEMBL15752236 | 0.82 | MAPT (0.36) | — | |
| SCHEMBL18646507 | 0.80 | — | — | |
| SCHEMBL16438994 | 0.74 | — | — | |
| SCHEMBL14555145 | 0.72 | — | — | |
| SCHEMBL15343481 | 0.70 | — | — | |
| SCHEMBL16749928 | 0.69 | — | — | |
| SCHEMBL17355036 | 0.68 | — | — | |
| SCHEMBL16378173 | 0.67 | MAPT (0.39) | — |
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-20150146155-A1 | LIQUID CRYSTAL MEDIUM | MERCK PATENT GMBH (DE) | 2015-05-28 | — | — | US | disclosed |