⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16588496 | 0.94 | CHRM2 (0.31) | — | |
| SCHEMBL16803178 | 0.90 | — | — | |
| SCHEMBL13299259 | 0.81 | CHRM2 (0.31) | — | |
| SCHEMBL13299245 | 0.78 | — | — | |
| SCHEMBL18069639 | 0.78 | — | — | |
| SCHEMBL18072214 | 0.77 | — | — | |
| SCHEMBL16351952 | 0.76 | — | — | |
| SCHEMBL16844752 | 0.75 | APLNR (0.32) | — | |
| SCHEMBL13299239 | 0.74 | — | — | |
| SCHEMBL15810581 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016146245-A1 | LIQUID-CRYSTAL MEDIUM | MERCK PATENT GMBH (DE) | 2016-09-22 | — | — | WO | disclosed |