⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24412885 | 0.75 | SSTR1 (0.35) | — | |
| SCHEMBL21983700 | 0.68 | SSTR1 (0.31) | — | |
| SCHEMBL21983768 | 0.68 | — | — | |
| SCHEMBL9780103 | 0.67 | SSTR1 (0.49) | — | |
| SCHEMBL14632200 | 0.67 | SSTR1 (0.49) | — | |
| SCHEMBL12736601 | 0.66 | GJB2 (0.41) | — | |
| SCHEMBL21983699 | 0.65 | — | — | |
| B-D-Galactose SCHEMBL28286620 | 0.63 | LGALS8 (0.38) | — | |
| B-D-Galactose SCHEMBL29368537 | 0.63 | LGALS8 (0.38) | — | |
| SCHEMBL14086731 | 0.63 | GJB2 (0.43) | — |
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-7901605-B2 | Method of forming an alignment layer for liquid crystal display device | LG DISPLAY CO., LTD. (KR) | 2011-03-08 | — | — | US | disclosed |