⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16803178 | 0.87 | — | — | |
| SCHEMBL16588496 | 0.81 | CHRM2 (0.31) | — | |
| SCHEMBL18087355 | 0.77 | — | — | |
| SCHEMBL18069639 | 0.75 | — | — | |
| SCHEMBL13299245 | 0.75 | — | — | |
| SCHEMBL18509972 | 0.73 | — | — | |
| SCHEMBL25605997 | 0.70 | CHRM2 (0.33) | — | |
| SCHEMBL13299259 | 0.69 | CHRM2 (0.31) | — | |
| SCHEMBL18088054 | 0.69 | CYP19A1 (0.34) | — | |
| SCHEMBL23887945 | 0.67 | TP53 (0.47) | — |
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-20160264865-A1 | LIQUID CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2016-09-15 | — | — | US | disclosed |