SCHEMBL9330465

SCHEMBL9330465

BrP(Br)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
IDO1 P14902 1/20 0.48
AGXT P21549 1/20 0.46
ALDH1A1 P00352 4/20 0.42
TRPA1 O75762 1/20 0.42
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A3 Q01959 2/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
PTGS1 P23219 1/20 0.40
CYP2C19 P33261 1/20 0.40
PTGS2 P35354 1/20 0.40
HIF1A Q16665 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
MAOB P27338 2/20 0.39
CALM1 P0DP23 1/20 0.39
L3MBTL1 Q9Y468 3/20 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.

Compoundsimilaritytop predictedshared targets
SCHEMBL194803 0.79 TSHR (0.57) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL389752 0.78 TSHR (0.50) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL11687302 0.77 TSHR (0.55) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL1117737 0.77 TSHR (0.55) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL9330479 0.76 TSHR (0.48) TSHRIDO1AGXTALDH1A1TRPA1
Hydrochloric Acid SCHEMBL28411663 0.76 AGXT (0.48) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL7263832 0.76 TSHR (0.48) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL51153 0.75 TSHR (0.52) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL14702031 0.75 TSHR (0.52) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL7934188 0.75 TSHR (0.52) TSHRIDO1AGXTALDH1A1CA1

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0357048-B1 Process for transhalogenating a halophosphorus compound with hydrogen fluoride ALBEMARLE CORP (US) 1994-09-28 EP disclosed
EP-0358985-B1 Method of transhalogenating a halophosphorus compound with fluoride ETHYL CORP (US) 1994-03-16 EP disclosed
EP-0312790-B1 Process for transhalogenating a halophosphorus compound with fluoride ETHYL CORP (US) 1993-11-18 EP disclosed
US-5136075-A Process for transhalogenating a halophosphorus compound with fluoride ETHYL CORPORATION (US) 1992-08-04 US disclosed
US-5061818-A Fluorination with metal or ammonium fluoride in presence of pyridine halide salt ETHYL CORPORATION (US) 1991-10-29 US disclosed
US-5049691-A Process for transhalogenating a halophosphorous compound with anhydrous hydrogen fluoride ETHYL CORPORATION (US) 1991-09-17 US disclosed
US-4929745-A Transhalogenation of halophosphorus compounds EHTYL CORPORATION (US) 1990-05-29 US disclosed
EP-0358985-A1 Method of transhalogenating a halophosphorus compound with fluoride ETHYL CORPORATION (US) 1990-03-21 EP disclosed
US-4910324-A Using a metal or ammonium fluoride ETHYL CORPORATION (US) 1990-03-20 US disclosed
EP-0357048-A2 Process for transhalogenating a halophosphorus compound with hydrogen fluoride ALBEMARLE CORPORATION (US) 1990-03-07 EP disclosed
EP-0353598-A2 Transhalogenation of halophosphorus compounds ETHYL CORPORATION (US) 1990-02-07 EP disclosed
EP-0312790-A2 Process for transhalogenating a halophosphorus compound with fluoride ETHYL CORPORATION (US) 1989-04-26 EP disclosed