⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16968399 | 0.88 | ALDH1A1 (0.36) | — | |
| SCHEMBL479132 | 0.84 | TSHR (0.35) | — | |
| SCHEMBL28383691 | 0.80 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL3983470 | 0.80 | — | — | |
| SCHEMBL27771471 | 0.79 | ALDH1A1 (0.31) | — | |
| SCHEMBL2228386 | 0.78 | ALDH1A1 (0.30) | — | |
| SCHEMBL12276047 | 0.75 | — | — | |
| SCHEMBL2227439 | 0.72 | — | — | |
| SCHEMBL26934448 | 0.72 | — | — | |
| SCHEMBL17629221 | 0.72 | ALDH1A1 (0.36) | — |
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-6528531-B1 | Coccidiosis in poultry; | MERCK & CO., INC. | 2003-03-04 | — | — | US | disclosed |