⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8351362 | 0.80 | — | — | |
| SCHEMBL8346757 | 0.77 | HTT (0.33) | — | |
| SCHEMBL8351318 | 0.68 | — | — | |
| SCHEMBL8344264 | 0.67 | — | — | |
| SCHEMBL8348941 | 0.63 | MAPT (0.32) | — | |
| SCHEMBL15133253 | 0.62 | MAPT (0.36) | — | |
| SCHEMBL6726076 | 0.61 | PTGS1 (0.32) | — | |
| SCHEMBL1270526 | 0.60 | — | — | |
| SCHEMBL22945839 | 0.59 | CYP2A13 (0.43) | — | |
| SCHEMBL9037686 | 0.59 | RXRA (0.35) | — |
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-1997001550-A1 | HERBICIDAL KETALS AND SPIROCYCLES | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1997-01-16 | — | — | WO | disclosed |