Predicted protein targets (top 2)
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
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 | |
|---|---|---|---|---|
| SCHEMBL4668690 | 0.84 | ALDH1A1 (0.55) | ALDH1A1CYP3A4 | |
| SCHEMBL2446309 | 0.79 | ALDH1A1 (0.49) | ALDH1A1CYP3A4 | |
| SCHEMBL27401653 | 0.75 | ALDH1A1 (0.51) | ALDH1A1CYP3A4 | |
| SCHEMBL11573883 | 0.72 | ALDH1A1 (0.31) | ALDH1A1CYP3A4 | |
| SCHEMBL29932997 | 0.71 | ALDH1A1 (1.00) | ALDH1A1CYP3A4 | |
| SCHEMBL15846 | 0.71 | ALDH1A1 (1.00) | ALDH1A1CYP3A4 | |
| SCHEMBL28910450 | 0.71 | ALDH1A1 (1.00) | ALDH1A1CYP3A4 | |
| SCHEMBL14679716 | 0.71 | ALDH1A1 (1.00) | ALDH1A1CYP3A4 | |
| SCHEMBL6836764 | 0.71 | ALDH1A1 (1.00) | ALDH1A1CYP3A4 | |
| SCHEMBL2821152 | 0.71 | ALDH1A1 (1.00) | ALDH1A1CYP3A4 |
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-2024124426-A1 | ISOPHORONE DIISOCYANATE COMPOSITION AND BLOCKED PRODUCT THEREOF | 万华化学集团股份有限公司 | 2024-06-20 | — | — | WO | disclosed |