Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR3 | O14843 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | FAAH | O00519 | 8/20 | 0.34 |
| ▸ | CES1 | P23141 | 6/20 | 0.33 |
| ▸ | CES2 | O00748 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.32 |
| ▸ | HMGCR | P04035 | 1/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 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 | |
|---|---|---|---|---|
| SCHEMBL16207901 | 0.79 | TSHR (0.36) | TSHRALDH1A1CYP2D6CYP2C19HIF1A | |
| SCHEMBL4427911 | 0.76 | — | — | |
| SCHEMBL5604100 | 0.76 | FFAR3 (0.40) | FFAR3TSHRALDH1A1CYP2D6CYP2C19 | |
| SCHEMBL6117118 | 0.75 | FFAR3 (0.35) | FFAR3TSHRALDH1A1CYP2D6CYP2C19 | |
| SCHEMBL27872049 | 0.75 | — | — | |
| SCHEMBL810063 | 0.75 | — | — | |
| SCHEMBL19582736 | 0.74 | ALDH1A1 (0.47) | FFAR3TSHRALDH1A1CYP2D6CYP2C19 | |
| SCHEMBL29186809 | 0.74 | ALDH1A1 (0.47) | FFAR3TSHRALDH1A1CYP2D6CYP2C19 | |
| SCHEMBL17611270 | 0.73 | DGAT1 (0.37) | ALDH1A1FAAHCES1CES2MEN1 | |
| SCHEMBL911270 | 0.72 | FFAR3 (0.42) | FFAR3TSHRALDH1A1CYP2D6CYP2C19 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1174415-B1 | High purity preparation of fluorinated 1,3-dicarbonyls using BDM (bis-fluoroxydifluoromethane) | AIR PROD & CHEM (US) | 2003-10-22 | — | — | EP | claimed |
| EP-1174415-A1 | High purity preparation of fluorinated 1,3-dicarbonyls using BDM (bis-fluoroxydifluoromethane) | AIR PRODUCTS AND CHEMICALS, INC. (US) | 2002-01-23 | — | — | EP | claimed |
| US-6307105-B1 | ELECTROPHILICALLY FLUORINATING A BETA-DICARBONYL WITH BIS(FLUOROXY)DIFLUOROMETHANE IN THE PRESENCE OF AN ACID | AIR PRODUCTS AND CHEMICALS, INC. | 2001-10-23 | — | — | US | claimed |
| EP-1095928-B1 | Direct fluorination process for preparing high purity alpha-fluoro-beta-dicarbonyl compounds | AIR PROD & CHEM (US) | 2004-02-04 | — | — | EP | disclosed |
| EP-1174415-B1 | High purity preparation of fluorinated 1,3-dicarbonyls using BDM (bis-fluoroxydifluoromethane) | AIR PROD & CHEM (US) | 2003-10-22 | — | — | EP | disclosed |
| US-6455728-B1 | REACTING METHYL-3-OXOPENTANOATE WTIH HYDROGEN FLUORIDE IN PRESENCE OF OXYGEN; BY-PRODUCT INHIBITION; CHEMICAL INTERMEDIATES FOR PRODUCING PHARMACEUTICALS | AIR PRODUCTS AND CHEMICALS, INC. | 2002-09-24 | — | — | US | disclosed |
| EP-1174415-A1 | High purity preparation of fluorinated 1,3-dicarbonyls using BDM (bis-fluoroxydifluoromethane) | AIR PRODUCTS AND CHEMICALS, INC. (US) | 2002-01-23 | — | — | EP | disclosed |
| US-6307105-B1 | ELECTROPHILICALLY FLUORINATING A BETA-DICARBONYL WITH BIS(FLUOROXY)DIFLUOROMETHANE IN THE PRESENCE OF AN ACID | AIR PRODUCTS AND CHEMICALS, INC. | 2001-10-23 | — | — | US | disclosed |
| EP-1095928-A2 | Direct fluorination process for preparing high purity alpha-fluoro-beta-dicarbonyl compounds | AIR PRODUCTS AND CHEMICALS, INC. (US) | 2001-05-02 | — | — | EP | disclosed |