⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL807501 | 0.94 | ALOX5AP (0.31) | — | |
| SCHEMBL326219 | 0.89 | CNR2 (0.33) | — | |
| SCHEMBL855560 | 0.87 | ALOX5AP (0.33) | — | |
| SCHEMBL325297 | 0.85 | ALDH1A1 (0.33) | — | |
| SCHEMBL325242 | 0.85 | HSD17B10 (0.37) | — | |
| SCHEMBL325579 | 0.85 | KDM4E (0.34) | — | |
| SCHEMBL12942933 | 0.82 | KDM4E (0.32) | — | |
| SCHEMBL807496 | 0.82 | CNR2 (0.31) | — | |
| SCHEMBL13635923 | 0.81 | CRHR1 (0.35) | — | |
| SCHEMBL1807378 | 0.79 | AR (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 |
|---|---|---|---|---|---|---|---|
| WO-2012004326-A1 | PESTICIDAL PYRROLINE DERIVATIVES | BAYER CROPSCIENCE AG (DE) | 2012-01-12 | — | — | WO | disclosed |