⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11517862 | 0.85 | MGAM (0.39) | — | |
| SCHEMBL11519554 | 0.81 | TDP1 (0.38) | — | |
| SCHEMBL11516509 | 0.75 | ALDH1A1 (0.32) | — | |
| SCHEMBL7640644 | 0.75 | LIPA (0.39) | — | |
| SCHEMBL2221105 | 0.71 | THRB (0.42) | — | |
| SCHEMBL3282267 | 0.69 | ALDH1A1 (0.32) | — | |
| SCHEMBL5916988 | 0.69 | ALDH1A1 (0.47) | — | |
| SCHEMBL2891773 | 0.69 | PLOD2 (0.39) | — | |
| SCHEMBL183178 | 0.67 | PLOD2 (0.46) | — | |
| SCHEMBL29915689 | 0.67 | ALDH1A1 (0.44) | — |
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-4180386-A | ANTIKNOCK FUEL ADDITIVES | E. I. DU PONT DE NEMOURS & COMPANY (US) | 1979-12-25 | — | — | US | disclosed |