⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2539080 | 0.85 | — | — | |
| SCHEMBL2539083 | 0.85 | — | — | |
| SCHEMBL12238495 | 0.82 | — | — | |
| SCHEMBL2980543 | 0.77 | TSHR (0.34) | — | |
| SCHEMBL2547377 | 0.71 | L3MBTL1 (0.44) | — | |
| SCHEMBL12238488 | 0.71 | — | — | |
| SCHEMBL12238490 | 0.71 | — | — | |
| SCHEMBL12238486 | 0.69 | — | — | |
| SCHEMBL12238491 | 0.68 | — | — | |
| SCHEMBL4418153 | 0.68 | LMNA (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2560634-A1 | NITRIC OXIDE RELEASING PRODRUGS OF THERAPEUTIC AGENTS | Piramal Enterprises Limited (IN) | 2013-02-27 | — | — | EP | disclosed |