⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21347131 | 0.83 | — | — | |
| SCHEMBL21347141 | 0.83 | — | — | |
| SCHEMBL6410670 | 0.77 | — | — | |
| SCHEMBL12632085 | 0.74 | — | — | |
| SCHEMBL21499655 | 0.73 | — | — | |
| SCHEMBL13821140 | 0.73 | — | — | |
| SCHEMBL12643479 | 0.70 | — | — | |
| SCHEMBL20076592 | 0.67 | — | — | |
| SCHEMBL20245174 | 0.67 | — | — | |
| SCHEMBL21092321 | 0.66 | KIF11 (0.36) | — |
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-2012058132-A1 | SOLUBLE GUANYLATE CYCLASE ACTIVATORS | MERCK SHARP & DOHME CORP. (US) | 2012-05-03 | — | — | WO | disclosed |