⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2893934 | 0.82 | CYP2C19 (0.34) | — | |
| SCHEMBL2900804 | 0.79 | KDM4E (0.35) | — | |
| SCHEMBL7990823 | 0.77 | TYR (0.36) | — | |
| SCHEMBL4615336 | 0.76 | CYP2C19 (0.45) | — | |
| SCHEMBL8745091 | 0.76 | — | — | |
| SCHEMBL11598762 | 0.76 | ESR1 (0.36) | — | |
| SCHEMBL575701 | 0.75 | TP53 (0.50) | — | |
| SCHEMBL2643477 | 0.75 | — | — | |
| SCHEMBL12337765 | 0.73 | IDO1 (0.48) | — | |
| Ammonia Solution, Strong SCHEMBL28733157 | 0.73 | TP53 (0.48) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1194417-A1 | PHENOXY FLUOROPYRIMIDINES | BAYER AG (DE) | 2002-04-10 | — | — | EP | claimed |
| WO-2000078733-A1 | PHENOXY FLUOROPYRIMIDINES | BAYER AKTIENGESELLSCHAFT (DE) | 2000-12-28 | — | — | WO | claimed |
| US-20100305124-A1 | Acylated Aminopyridine and Aminopyridazine Insecticides | BAYER CROPSCIENCE AG (DE) | 2010-12-02 | — | — | US | disclosed |
| EP-2236505-A1 | Acylated aminopyridines and pyridazines as insecticides | Bayer CropScience AG (DE) | 2010-10-06 | — | — | EP | disclosed |
| EP-1194417-A1 | PHENOXY FLUOROPYRIMIDINES | BAYER AG (DE) | 2002-04-10 | — | — | EP | disclosed |
| WO-2000078733-A1 | PHENOXY FLUOROPYRIMIDINES | BAYER AKTIENGESELLSCHAFT (DE) | 2000-12-28 | — | — | WO | disclosed |
| US-5378803-A | Analgesics, substance P antagonists, peptides containing thiazole, oxazole or imidazole ring and indole ring | STERLING WINTHROP INC. (US) | 1995-01-03 | — | — | US | disclosed |