Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | FDPS | P14324 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9489613 | 0.82 | FDPS (0.32) | TSHRFDPSALDH1A1 | |
| SCHEMBL8635500 | 0.82 | TSHR (0.36) | TSHR | |
| SCHEMBL8400860 | 0.80 | TSHR (0.35) | TSHRFDPSALDH1A1 | |
| SCHEMBL8529544 | 0.80 | TSHR (0.40) | TSHR | |
| SCHEMBL1123761 | 0.76 | — | — | |
| SCHEMBL3114618 | 0.76 | — | — | |
| SCHEMBL987286 | 0.76 | — | — | |
| SCHEMBL10452648 | 0.75 | TSHR (0.36) | TSHRFDPSALDH1A1 | |
| SCHEMBL28056385 | 0.75 | OPRM1 (0.39) | FDPS | |
| SCHEMBL15373133 | 0.74 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120225983-A1 | ADHESIVES AND SEALANTS COMPRISING ESTERS BASED ON 2-PROPYLHEPTANOL | BASF SE (DE) | 2012-09-06 | — | — | US | disclosed |
| US-7291748-B2 | C10/C7 ester mixtures based on 2-propylheptanol | BASF CORPORATION (US) | 2007-11-06 | — | — | US | disclosed |
| US-20070027242-A1 | C10/C7 ester mixtures based on 2-propylheptanol | BASF CORPORATION | 2007-02-01 | — | — | US | disclosed |