⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6338291 | 0.71 | — | — | |
| SCHEMBL6577421 | 0.67 | — | — | |
| SCHEMBL1269417 | 0.65 | PTPN1 (0.48) | — | |
| SCHEMBL1269421 | 0.65 | PTPN1 (0.48) | — | |
| SCHEMBL7738008 | 0.65 | LMNA (0.39) | — | |
| Ethylene SCHEMBL6511490 | 0.64 | — | — | |
| SCHEMBL8494 | 0.64 | — | — | |
| SCHEMBL17581081 | 0.64 | — | — | |
| SCHEMBL797340 | 0.64 | — | — | |
| SCHEMBL31027136 | 0.64 | — | — |
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-20130102471-A1 | FORMULA COMPOSITION AS DELIVERY SYSTEM USED IN PHARMACEUTICAL AND PESTICIDE APPLICATIONS | TIEU HUU (US) | 2013-04-25 | — | — | US | disclosed |