Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 18/20 | 0.49 |
| ▸ | THRA | P10827 | 1/20 | 0.48 |
| ▸ | THRB | P10828 | 1/20 | 0.48 |
| ▸ | ESR2 | Q92731 | 10/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL9077109 | 0.85 | ESR1 (0.49) | ESR1ESR2 | |
| SCHEMBL7502124 | 0.79 | CYP19A1 (0.50) | ESR1ESR2 | |
| SCHEMBL7624440 | 0.79 | ESR1 (0.71) | ESR1ESR2 | |
| SCHEMBL5820713 | 0.79 | ESR1 (0.61) | ESR1ESR2 | |
| SCHEMBL4688283 | 0.79 | LTA4H (0.66) | ESR1THRATHRBESR2 | |
| SCHEMBL9330558 | 0.78 | RARB (0.56) | — | |
| SCHEMBL7666347 | 0.77 | MCHR1 (0.55) | ESR1ESR2 | |
| SCHEMBL30375435 | 0.76 | TP53 (0.55) | — | |
| SCHEMBL5710194 | 0.76 | TP53 (0.55) | — | |
| SCHEMBL4651744 | 0.76 | CHRNA7 (0.43) | ESR1 |
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-0888331-A4 | SYNTHESIS OF 3-[4-(2-AMINOETHOXY)-BENZOYL]-2-ARYL-6-HYDROXY-BENZO[b]THIOPHENES | LILLY CO ELI (US) | 2001-05-23 | — | — | EP | disclosed |
| EP-0888331-A1 | SYNTHESIS OF 3-[4-(2-AMINOETHOXY)-BENZOYL]-2-ARYL-6-HYDROXY-BENZO[b]THIOPHENES | ELI LILLY AND COMPANY (US) | 1999-01-07 | — | — | EP | disclosed |
| WO-1997034888-A1 | SYNTHESIS OF 3-[4-(2-AMINOETHOXY)-BENZOYL]-2-ARYL-6-HYDROXY-BENZO[b]THIOPHENES | ELI LILLY AND COMPANY (US) | 1997-09-25 | — | — | WO | disclosed |