Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SOS1 | Q07889 | 1/20 | 0.33 |
| ▸ | SOS2 | Q07890 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL765969 | 0.97 | — | — | |
| Ammonia Solution, Strong SCHEMBL17812443 | 0.94 | SOS1 (0.33) | SOS1SOS2TSHRNFKB1CYP2C19 | |
| Hydrochloric Acid SCHEMBL27540904 | 0.94 | SOS1 (0.33) | SOS1SOS2TSHRNFKB1CYP2C19 | |
| SCHEMBL17423998 | 0.94 | SOS1 (0.33) | SOS1SOS2TSHRNFKB1CYP2C19 | |
| SCHEMBL2262125 | 0.94 | SOS1 (0.33) | SOS1SOS2TSHRNFKB1CYP2C19 | |
| SCHEMBL19072213 | 0.94 | SOS1 (0.33) | SOS1SOS2TSHRNFKB1CYP2C19 | |
| SCHEMBL22930557 | 0.94 | SOS1 (0.33) | SOS1SOS2TSHRNFKB1CYP2C19 | |
| SCHEMBL766013 | 0.88 | — | — | |
| Hydrochloric Acid SCHEMBL29127404 | 0.86 | — | — | |
| Ammonia Solution, Strong SCHEMBL4021906 | 0.86 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1252046-A | Preparation of 3,3-dimethylbutyraldehyde | NUTRASWEET CO (US) | 2000-05-03 | — | — | CN | claimed |
| EP-0960091-A1 | METHOD FOR PREPARING 3,3-DIMETHYLBUTYRALDEHYDE | The NutraSweet Company (US) | 1999-12-01 | — | — | EP | claimed |
| WO-1998034896-A1 | METHOD FOR PREPARING 3,3-DIMETHYLBUTYRALDEHYDE | THE NUTRASWEET COMPANY (US) | 1998-08-13 | — | — | WO | claimed |
| US-5770775-A | Method for preparing 3,3-dimethylbutyraldehyde | THE NUTRASWEET COMPANY (US) | 1998-06-23 | — | — | US | claimed |
| CN-1252046-A | Preparation of 3,3-dimethylbutyraldehyde | NUTRASWEET CO (US) | 2000-05-03 | — | — | CN | disclosed |
| EP-0960091-A1 | METHOD FOR PREPARING 3,3-DIMETHYLBUTYRALDEHYDE | The NutraSweet Company (US) | 1999-12-01 | — | — | EP | disclosed |
| WO-1998034896-A1 | METHOD FOR PREPARING 3,3-DIMETHYLBUTYRALDEHYDE | THE NUTRASWEET COMPANY (US) | 1998-08-13 | — | — | WO | disclosed |
| US-5770775-A | Method for preparing 3,3-dimethylbutyraldehyde | THE NUTRASWEET COMPANY (US) | 1998-06-23 | — | — | US | disclosed |