⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4422158 | 1.00 | — | — | |
| SCHEMBL13068646 | 1.00 | — | — | |
| SCHEMBL22336397 | 1.00 | — | — | |
| SCHEMBL17952353 | 0.87 | — | — | |
| SCHEMBL12769151 | 0.87 | — | — | |
| SCHEMBL22617773 | 0.82 | — | — | |
| SCHEMBL12856633 | 0.82 | — | — | |
| SCHEMBL13918153 | 0.82 | — | — | |
| SCHEMBL13505087 | 0.82 | CA1 (0.38) | — | |
| SCHEMBL16844745 | 0.82 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1565540-B1 | LIQUID CRYSTALLINE COMPOUNDS | MERCK PATENT GMBH (DE) | 2007-09-26 | — | — | EP | disclosed |