Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | CTSD | P07339 | 1/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | HTR2B | P41595 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.40 |
| ▸ | CDK9 | P50750 | 1/20 | 0.40 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL310486 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL29396324 | 0.94 | TSHR (0.46) | TSHRHSD17B10TDP1ALDH1A1CTSD | |
| SCHEMBL2649576 | 0.77 | MGLL (0.50) | EPHX2KMT2AMEN1POLBMGLL | |
| SCHEMBL2552416 | 0.73 | ALDH1A1 (0.50) | TSHRHSD17B10TDP1ALDH1A1CTSD | |
| SCHEMBL4557133 | 0.73 | ALDH1A1 (0.50) | TSHRHSD17B10TDP1ALDH1A1CTSD | |
| SCHEMBL24645796 | 0.72 | TSHR (0.46) | TSHRHSD17B10ALDH1A1ALOX15TP53 | |
| SCHEMBL9781529 | 0.72 | MAPT (0.46) | TDP1ALDH1A1L3MBTL1ALOX12KMT2A | |
| Fluoride SCHEMBL5698487 | 0.72 | TDP1 (0.40) | TSHRHSD17B10TDP1ALDH1A1CTSD | |
| SCHEMBL22828255 | 0.71 | — | — | |
| Methane SCHEMBL29008343 | 0.71 | ALDH1A1 (0.47) | TSHRHSD17B10TDP1ALDH1A1CTSD |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1275631-B1 | Fluorination with aminosulfur trifluorides | AIR PROD & CHEM (US) | 2006-07-19 | — | — | EP | disclosed |
| EP-1095934-B1 | Process for the synthesis of dialkyl, diaryl, and arylalkyl aminosulphur trifluorides | AIR PROD & CHEM (US) | 2004-03-03 | — | — | EP | disclosed |
| EP-1275631-A2 | Fluorination with aminosulfur trifluorides | AIR PRODUCTS AND CHEMICALS, INC. (US) | 2003-01-15 | — | — | EP | disclosed |
| EP-0908448-B1 | Thermally stable aminosulfur trifluorides | AIR PROD & CHEM (US) | 2001-11-14 | — | — | EP | disclosed |
| US-6242645-B1 | BIOLOGICAL ACTIVITY ENHANCER, DEOXOFLUORINATION AGENT OF INTEREST IN MEDICINAL AND AGROCHEMICAL PRODUCTS | AIR PRODUCTS AND CHEMICALS, INC. | 2001-06-05 | — | — | US | disclosed |
| EP-1095934-A1 | Process for the synthesis of dialkyl, diaryl, and arylalkyl aminosulphur trifluorides | AIR PRODUCTS AND CHEMICALS, INC. (US) | 2001-05-02 | — | — | EP | disclosed |
| US-6222064-B1 | PERFORMING FLUORINATION BY CONTACTING ALCOHOLS, ALDEHYDES, KETONES, EPOXIDES, AND MIXTURES USING A FLUORINATING REAGENT COMPRISING AMINOSULFUR TRIFLUORIDE COMPOUND | AIR PRODUCTS AND CHEMICALS, INC. | 2001-04-24 | — | — | US | disclosed |
| US-6207860-B1 | FLUORINATING AGENTS, FAR LESS POTENTIAL OF VIOLENT DECOMPOSITION AND ATTENDANT HIGH GASEOUS BY-PRODUCT EVOLVEMENT, USEFUL FOR DEOXOFLUORINATION OF ALCOHOLS AND KETONES, | AIR PRODUCTS AND CHEMICALS, INC. | 2001-03-27 | — | — | US | disclosed |
| US-6096922-A | REACTING A SECONDARY AMINE WITH SF.SUB.4 UNDER CONDITIONS SUCH THAT SAID AMINOSULFUR TRIFLUORIDE AND A LIQUID AMINE-HF ADDUCT ARE PRODUCED. | AIR PRODUCTS AND CHEMICALS, INC. (US) | 2000-08-01 | — | — | US | disclosed |
| US-6080886-A | STABLE, EFFICIENT FLUORINATION WITH LESS POTENTIAL OF VIOLENT DECOMPOSITION AND ATTENDANT HIGH GASEOUS BY-PRODUCT EVOLVEMENT; PRODUCING SYNTHETIC DRUGS AND AGROCHEMICAL PRODUCTS | AIR PRODUCTS AND CHEMICALS, INC. (US) | 2000-06-27 | — | — | US | disclosed |
| EP-0908448-A1 | Thermally stable aminosulfur trifluorides | AIR PRODUCTS AND CHEMICALS, INC. (US) | 1999-04-14 | — | — | EP | disclosed |
| EP-0905109-A1 | Fluorination with aminosulfur trifluorides | AIR PRODUCTS AND CHEMICALS, INC. (US) | 1999-03-31 | — | — | EP | disclosed |