⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14465338 | 0.83 | — | — | |
| SCHEMBL883391 | 0.83 | — | — | |
| SCHEMBL9912626 | 0.83 | — | — | |
| SCHEMBL13068649 | 0.83 | — | — | |
| SCHEMBL10048436 | 0.83 | — | — | |
| SCHEMBL13979434 | 0.83 | — | — | |
| SCHEMBL18688160 | 0.79 | — | — | |
| SCHEMBL11378717 | 0.79 | — | — | |
| SCHEMBL883564 | 0.78 | — | — | |
| SCHEMBL14547102 | 0.77 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012069151-A1 | LIQUID CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2012-05-31 | — | — | WO | disclosed |
| WO-2010094455-A1 | THIOPHENE COMPOUNDS FOR LIQUID-CRYSTALLINE MEDIA | MERCK PATENT GMBH (DE) | 2010-08-26 | — | — | WO | disclosed |
| WO-2009112146-A1 | LIQUID CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2009-09-17 | — | — | WO | disclosed |