⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17240890 | 0.83 | HRH2 (0.42) | — | |
| SCHEMBL16408523 | 0.83 | HRH2 (0.42) | — | |
| SCHEMBL16408647 | 0.83 | HRH4 (0.34) | — | |
| SCHEMBL16408499 | 0.77 | — | — | |
| SCHEMBL16408503 | 0.74 | HRH2 (0.42) | — | |
| SCHEMBL16398769 | 0.74 | HRH2 (0.42) | — | |
| SCHEMBL11369934 | 0.70 | — | — | |
| SCHEMBL11373122 | 0.70 | MAPKAPK2 (0.34) | — | |
| SCHEMBL11153641 | 0.69 | MEN1 (0.44) | — | |
| SCHEMBL11356314 | 0.69 | — | — |
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-2015009882-A2 | CYANO DERIVATIVES AND THEIR USES | THE HAMNER INSTITUTES (US) | 2015-01-22 | — | — | WO | disclosed |