⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5142254 | 0.86 | — | — | |
| SCHEMBL5701732 | 0.81 | ADRB2 (0.40) | — | |
| SCHEMBL17378678 | 0.78 | KDM4E (0.33) | — | |
| SCHEMBL22283548 | 0.77 | — | — | |
| SCHEMBL1948513 | 0.77 | KDM1A (0.43) | — | |
| SCHEMBL4159314 | 0.77 | MAPK1 (0.48) | — | |
| SCHEMBL3023756 | 0.77 | PAOX (0.50) | — | |
| SCHEMBL3854557 | 0.76 | KDM1A (0.41) | — | |
| Hydrochloric Acid SCHEMBL3009329 | 0.75 | KDM1A (0.46) | — | |
| SCHEMBL5611725 | 0.75 | PAOX (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1993002074-A1 | ALKOXYAMINO KETALS, THEIR PREPARATION AND INTERMEDIATE PRODUCTS THEREFOR, AND THEIR USE AS FUNGICIDES | CHEMINOVA AGRO A/S (DK) | 1993-02-04 | — | — | WO | disclosed |