⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20343031 | 0.77 | IDO1 (0.34) | — | |
| SCHEMBL12889582 | 0.75 | KIF11 (0.31) | — | |
| SCHEMBL91887 | 0.75 | HDAC1 (0.30) | — | |
| SCHEMBL14126542 | 0.75 | MAPT (0.31) | — | |
| SCHEMBL91758 | 0.74 | — | — | |
| SCHEMBL28688322 | 0.74 | GAA (0.34) | — | |
| SCHEMBL8514871 | 0.72 | — | — | |
| SCHEMBL14366258 | 0.71 | ANPEP (0.33) | — | |
| SCHEMBL28517740 | 0.70 | — | — | |
| SCHEMBL9913188 | 0.70 | ALOX5AP (0.38) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8129002-B2 | Compounds for use in liquid crystal media | MERCK PATENT GMBH (DE) | 2012-03-06 | — | — | US | disclosed |
| US-7531106-B2 | Mesogenic compounds, medium for electro-optical displays and electro-optical display | MERCK PATENT GMBH (DE) | 2009-05-12 | — | — | US | disclosed |