⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5171325 | 0.68 | — | — | |
| SCHEMBL15661923 | 0.64 | — | — | |
| SCHEMBL4813530 | 0.63 | — | — | |
| SCHEMBL1149047 | 0.62 | — | — | |
| SCHEMBL4818513 | 0.61 | — | — | |
| SCHEMBL28101442 | 0.61 | — | — | |
| SCHEMBL25286833 | 0.60 | — | — | |
| SCHEMBL9076863 | 0.60 | MAPK1 (0.30) | — | |
| SCHEMBL1149024 | 0.58 | TSHR (0.35) | — | |
| SCHEMBL1149022 | 0.58 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3322296-A1 | SUBSTITUTED OXO-TETRAHYDROQUINOLINYL-PHOSPHINIC ACID AND PHOSPHINIC ACID AMIDES OR SALTS THEREOF AND USE THEREOF TO INCREASE STRESS TOLERANCE IN PLANTS | Bayer CropScience Aktiengesellschaft (DE) | 2018-05-23 | — | — | EP | disclosed |