Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | CTSK | P43235 | 2/20 | 0.31 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL5607911 | 1.00 | TSHR (0.32) | TSHRCTSKDGAT1ALDH1A1POLB | |
| SCHEMBL11868156 | 0.91 | TSHR (0.35) | TSHRCTSKDGAT1 | |
| SCHEMBL11868168 | 0.91 | TSHR (0.35) | TSHRCTSKDGAT1 | |
| SCHEMBL2843457 | 0.90 | PTPN1 (0.33) | — | |
| SCHEMBL2843461 | 0.90 | PTPN1 (0.33) | — | |
| SCHEMBL2847075 | 0.78 | MEN1 (0.33) | ALDH1A1 | |
| SCHEMBL2847072 | 0.78 | MEN1 (0.33) | ALDH1A1 | |
| SCHEMBL27478465 | 0.77 | DGAT1 (0.35) | TSHRCTSKDGAT1 | |
| SCHEMBL809243 | 0.77 | DGAT1 (0.40) | TSHRDGAT1ALDH1A1POLB | |
| SCHEMBL24425859 | 0.75 | MEN1 (0.44) | TSHRALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1578714-B1 | NOVEL CHIRAL COMPOUNDS DERIVED FROM HEXANOIC ACID ESTERS, METHOD AND INTERMEDIATE CHEMICALS FOR THE PREPARATION AND USE THEREOF FOR SYNTHESIS OF 2-(BROMOMETHYL)2-ETHYL HEXANOIC CHIRAL ACID | AVENTIS PHARMA SA (FR) | 2007-08-08 | — | — | EP | disclosed |
| EP-1578714-A1 | NOVEL CHIRAL COMPOUNDS DERIVED FROM HEXANOIC ACID ESTERS, METHOD AND INTERMEDIATE CHEMICALS FOR THE PREPARATION AND USE THEREOF FOR SYNTHESIS OF 2-(BROMOMETHYL)2-ETHYL HEXANOIC CHIRAL ACID | Aventis Pharma S.A. (FR) | 2005-09-28 | — | — | EP | disclosed |
| WO-2004058678-A1 | NOVEL CHIRAL COMPOUNDS DERIVED FROM HEXANOIC ACID ESTERS, METHOD AND INTERMEDIATE CHEMICALS FOR THE PREPARATION AND USE THEREOF FOR SYNTHESIS OF 2-(BROMOMETHYL)2-ETHYL HEXANOIC CHIRAL ACID | AVENTIS PHARMA S.A (FR) | 2004-07-15 | — | — | WO | disclosed |