⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18937493 | 0.67 | — | — | |
| SCHEMBL1416539 | 0.59 | — | — | |
| SCHEMBL1960310 | 0.59 | — | — | |
| SCHEMBL4548057 | 0.59 | — | — | |
| SCHEMBL114662 | 0.59 | — | — | |
| SCHEMBL20384146 | 0.56 | — | — | |
| SCHEMBL13442812 | 0.56 | — | — | |
| SCHEMBL19457042 | 0.56 | — | — | |
| SCHEMBL10028832 | 0.56 | — | — | |
| SCHEMBL16900657 | 0.56 | — | — |
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-20120135977-A1 | ETHER BENZOTRIAZOLE DERIVATIVES | MERCK SHARP & DOHME LLC | 2012-05-31 | — | — | US | disclosed |