⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7692862 | 0.77 | — | — | |
| SCHEMBL8776456 | 0.74 | — | — | |
| SCHEMBL756464 | 0.72 | — | — | |
| SCHEMBL4557480 | 0.72 | — | — | |
| SCHEMBL8776499 | 0.71 | — | — | |
| SCHEMBL459990 | 0.71 | TDP1 (0.39) | — | |
| SCHEMBL10373652 | 0.71 | — | — | |
| SCHEMBL3799502 | 0.71 | — | — | |
| SCHEMBL2246628 | 0.70 | — | — | |
| SCHEMBL7892946 | 0.70 | HMOX1 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-112480062-A | 5-lipoxygenase activating protein activity inhibitor and preparation method thereof | 陕西中医药大学 | 2021-03-12 | — | — | CN | disclosed |