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 | |
|---|---|---|---|---|
| Isobutyraldehyde SCHEMBL788159 | 0.80 | ADH1B (0.38) | TSHR | |
| Isobutyraldehyde SCHEMBL18287436 | 0.80 | — | — | |
| Isobutyraldehyde SCHEMBL2996 | 0.80 | — | — | |
| Isobutyraldehyde SCHEMBL2635854 | 0.80 | ADH1B (0.38) | TSHR | |
| SCHEMBL2619 | 0.80 | — | — | |
| SCHEMBL3261673 | 0.80 | TDP1 (0.38) | TSHR | |
| Isobutyraldehyde SCHEMBL10892494 | 0.80 | TP53 (0.31) | TP53TSHR | |
| Isobutyraldehyde SCHEMBL3458543 | 0.76 | — | — | |
| Isobutyraldehyde SCHEMBL5396003 | 0.76 | — | — | |
| Isobutyraldehyde SCHEMBL9351587 | 0.76 | — | — |
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-1997021719-A1 | α, α-DIFLUORO-β-HYDROXY THIOL ESTERS AND THEIR SYNTHESIS | ELI LILLY AND COMPANY (US) | 1997-06-19 | — | — | WO | disclosed |