Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.48 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ASPH | Q12797 | 1/20 | 0.36 |
| ▸ | KDM8 | Q8N371 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | DAO | P14920 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | KDM4A | O75164 | 1/20 | 0.35 |
| ▸ | KDM5A | P29375 | 1/20 | 0.35 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.35 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.35 |
| ▸ | AKR1C4 | P17516 | 2/20 | 0.34 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL10617307 | 0.86 | KEAP1 (0.47) | KEAP1NFE2L2CYP3A4KDM4EASPH | |
| SCHEMBL11677923 | 0.85 | CYP3A4 (0.48) | KEAP1NFE2L2CYP3A4KDM4ETSHR | |
| SCHEMBL8048009 | 0.84 | ALDH1A1 (0.41) | KEAP1NFE2L2TSHRALDH1A1SMN1; SMN2 | |
| SCHEMBL31267323 | 0.83 | KEAP1 (0.44) | KEAP1NFE2L2CYP3A4KDM4EASPH | |
| SCHEMBL8974977 | 0.81 | KEAP1 (0.53) | KEAP1NFE2L2CYP3A4KDM4EASPH | |
| SCHEMBL31267485 | 0.80 | KEAP1 (0.42) | KEAP1NFE2L2CYP3A4KDM4EASPH | |
| SCHEMBL17239558 | 0.80 | AKR1C3 (0.47) | KEAP1NFE2L2CYP3A4KDM4EASPH | |
| SCHEMBL23496686 | 0.78 | KEAP1 (0.47) | KEAP1NFE2L2CYP3A4KDM4EASPH | |
| SCHEMBL4513582 | 0.78 | KEAP1 (0.47) | KEAP1NFE2L2CYP3A4KDM4EASPH | |
| SCHEMBL7596205 | 0.76 | KEAP1 (0.48) | KEAP1NFE2L2CYP3A4KDM4EASPH |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106892803-B | Preparation method of 2, 6-dichloro-3-fluorobenzaldehyde and preparation method of fluoroquinolone compound | 浙江朗华制药有限公司 | 2020-08-14 | — | — | CN | claimed |
| CN-106892803-B | Preparation method of 2, 6-dichloro-3-fluorobenzaldehyde and preparation method of fluoroquinolone compound | 浙江朗华制药有限公司 | 2020-08-14 | — | — | CN | disclosed |
| CN-106892803-B | Preparation method of 2, 6-dichloro-3-fluorobenzaldehyde and preparation method of fluoroquinolone compound | 浙江朗华制药有限公司 | 2020-08-14 | — | — | CN | disclosed |
| EP-0757667-B1 | PROCESSES FOR PREPARING AROMATIC, BROMINE-CONTAINING COMPOUNDS, NOVEL BROMINE-CONTAINING COMPOUNDS, AND THEIR USE AS INTERMEDIATE PRODUCTS IN THE SYNTHESIS OF ACTIVE AGENTS | BAYER AG (DE) | 2000-04-19 | — | — | EP | disclosed |
| US-5792892-A | BROMINATION IN THE PRESENCE OF ALUMINUM CHLORIDE AND BROMINE AND CHLORINE | BAYER AKTIENGESELLSCHAFT (DE) | 1998-08-11 | — | — | US | disclosed |
| EP-0757667-A1 | PROCESSES FOR PREPARING AROMATIC, BROMINE-CONTAINING COMPOUNDS, NOVEL BROMINE-CONTAINING COMPOUNDS, AND THEIR USE AS INTERMEDIATE PRODUCTS IN THE SYNTHESIS OF ACTIVE AGENTS | BAYER AG (DE) | 1997-02-12 | — | — | EP | disclosed |
| WO-1995029886-A1 | PROCESSES FOR PREPARING AROMATIC, BROMINE-CONTAINING COMPOUNDS, NOVEL BROMINE-CONTAINING COMPOUNDS, AND THEIR USE AS INTERMEDIATE PRODUCTS IN THE SYNTHESIS OF ACTIVE AGENTS | BAYER AKTIENGESELLSCHAFT (DE) | 1995-11-09 | — | — | WO | disclosed |
| EP-0266512-B1 | METHOD FOR THE PRODUCTION OF BENZOIC ACID DERIVATIVES FLUORINATED ON THE NUCLEUS | BAYER AG (DE) | 1991-12-04 | — | — | EP | disclosed |
| US-4990661-A | Process for the preparation of benzoic acid derivatives | BAYER AKTIENGESELLSCHAFT (DE) | 1991-02-05 | — | — | US | disclosed |
| US-4851160-A | Process for the preparation of benzoic acid derivatives | BAYER AKTIENGESELLSCHAFT (DE) | 1989-07-25 | — | — | US | disclosed |
| EP-0266512-A2 | Method for the production of benzoic acid derivatives fluorinated on the nucleus | BAYER AG (DE) | 1988-05-11 | — | — | EP | disclosed |