⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15884464 | 0.78 | — | — | |
| SCHEMBL3683850 | 0.78 | — | — | |
| SCHEMBL21241319 | 0.75 | ALDH1A1 (0.33) | — | |
| SCHEMBL1784725 | 0.73 | — | — | |
| SCHEMBL1696483 | 0.73 | — | — | |
| SCHEMBL31010438 | 0.73 | — | — | |
| SCHEMBL22637482 | 0.72 | ALDH1A1 (0.48) | — | |
| SCHEMBL22637570 | 0.72 | ALDH1A1 (0.48) | — | |
| SCHEMBL22637484 | 0.72 | ALDH1A1 (0.48) | — | |
| SCHEMBL21936041 | 0.69 | NPC1 (0.45) | — |
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-20120122680-A1 | MESOIONIC PESTICIDES | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 2012-05-17 | — | — | US | disclosed |