⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL91808 | 0.89 | AR (0.31) | — | |
| SCHEMBL91766 | 0.89 | — | — | |
| SCHEMBL91877 | 0.85 | PTGDR2 (0.32) | — | |
| SCHEMBL91715 | 0.84 | SLC6A2 (0.32) | — | |
| SCHEMBL91739 | 0.82 | FFAR4 (0.31) | — | |
| SCHEMBL91751 | 0.80 | KMT2A (0.35) | — | |
| SCHEMBL91735 | 0.78 | — | — | |
| SCHEMBL91728 | 0.78 | — | — | |
| SCHEMBL91752 | 0.77 | — | — | |
| SCHEMBL91730 | 0.75 | ESR1 (0.32) | — |
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-8129002-B2 | Compounds for use in liquid crystal media | MERCK PATENT GMBH (DE) | 2012-03-06 | — | — | US | disclosed |