⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8763461 | 0.84 | PKM (0.33) | — | |
| SCHEMBL1768114 | 0.79 | POLB (0.32) | — | |
| SCHEMBL20343428 | 0.77 | — | — | |
| SCHEMBL14043523 | 0.75 | — | — | |
| SCHEMBL14607899 | 0.75 | — | — | |
| SCHEMBL14445602 | 0.75 | — | — | |
| SCHEMBL7313286 | 0.75 | — | — | |
| SCHEMBL14387908 | 0.75 | — | — | |
| SCHEMBL10074942 | 0.75 | — | — | |
| SCHEMBL12204724 | 0.74 | TSHR (0.33) | — |
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-2011132171-A1 | NITRIC OXIDE RELEASING PRODRUGS OF THERAPEUTIC AGENTS | PIRAMAL LIFE SCIENCES LIMITED (IN) | 2011-10-27 | — | — | WO | disclosed |