⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9539643 | 0.80 | PABPC1 (0.30) | — | |
| SCHEMBL9540602 | 0.80 | PABPC1 (0.30) | — | |
| SCHEMBL9540507 | 0.74 | CA2 (0.31) | — | |
| SCHEMBL9540548 | 0.72 | — | — | |
| SCHEMBL9741801 | 0.70 | HTR1A (0.30) | — | |
| SCHEMBL1901250 | 0.68 | CA2 (0.55) | — | |
| SCHEMBL2077365 | 0.68 | CA2 (0.55) | — | |
| SCHEMBL369753 | 0.68 | CA2 (0.55) | — | |
| SCHEMBL26777718 | 0.66 | CA2 (0.36) | — | |
| SCHEMBL2748061 | 0.63 | CA2 (0.53) | — |
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 |