⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17801396 | 0.73 | TSHR (0.46) | — | |
| SCHEMBL13949662 | 0.71 | ALDH1A1 (0.39) | — | |
| Acetic Acid SCHEMBL17923482 | 0.69 | ALDH1A1 (0.50) | — | |
| Ethyl Acetate SCHEMBL4388018 | 0.69 | ALDH1A1 (0.74) | — | |
| SCHEMBL80284 | 0.69 | — | — | |
| Ethyl Acetate SCHEMBL11061129 | 0.67 | ALDH1A1 (0.70) | — | |
| SCHEMBL17801437 | 0.67 | — | — | |
| Ethyl Acetate SCHEMBL28603675 | 0.67 | ALDH1A1 (0.70) | — | |
| Bromide SCHEMBL8637682 | 0.67 | — | — | |
| SCHEMBL2209521 | 0.67 | — | — |
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-2016087593-A1 | NOVEL FUNGICIDAL QUINOLINYLAMIDINES | SYNGENTA PARTICIPATIONS AG (CH) | 2016-06-09 | — | — | WO | disclosed |