⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14214320 | 0.84 | ALDH1A1 (0.47) | — | |
| SCHEMBL6070508 | 0.84 | ALDH1A1 (0.47) | — | |
| SCHEMBL15009301 | 0.78 | LMNA (0.52) | — | |
| SCHEMBL3989207 | 0.78 | LMNA (0.52) | — | |
| SCHEMBL6022379 | 0.78 | MIF (0.53) | — | |
| SCHEMBL6022384 | 0.78 | MEN1 (0.56) | — | |
| SCHEMBL2912691 | 0.77 | — | — | |
| SCHEMBL14183637 | 0.75 | MIF (0.54) | — | |
| SCHEMBL11365099 | 0.75 | LMNA (0.44) | — | |
| SCHEMBL12385481 | 0.75 | CA1 (0.46) | — |
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-4283403-A | Substituted isoxazolines for control of plant phytopathogens | ELI LILLY AND COMPANY (US) | 1981-08-11 | — | — | US | disclosed |