SCHEMBL3248064

SCHEMBL3248064

O=[N+]([O-])c1ccc(CCOS(=O)(O)=S)cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.54
IDO1 P14902 2/20 0.49
KCNH2 Q12809 6/20 0.46
KCNJ1 P48048 2/20 0.45
LOXL2 Q9Y4K0 1/20 0.44
AKR1C3 P42330 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP2C19 P33261 1/20 0.44
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
CA12 O43570 2/20 0.43
CA4 P22748 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42

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
SCHEMBL3246902 0.86 TSHR (0.49) TSHRIDO1KCNH2KCNJ1LOXL2
SCHEMBL874787 0.82 TSHR (0.51) TSHRIDO1KCNH2KCNJ1LOXL2
SCHEMBL693396 0.82 TSHR (0.51) TSHRIDO1KCNH2KCNJ1LOXL2
Alcohol SCHEMBL11364447 0.80 TSHR (0.54) TSHRIDO1KCNH2KCNJ1LOXL2
SCHEMBL17595745 0.78 CA2 (0.64) TSHRIDO1KCNH2KCNJ1LOXL2
SCHEMBL21820808 0.78 TSHR (0.63) TSHRIDO1KCNH2KCNJ1LOXL2
SCHEMBL18045536 0.77 HTT (0.62) TSHRALDH1A1CYP2C19CA1CA2
SCHEMBL3656180 0.77 TSHR (0.62) TSHRIDO1KCNH2KCNJ1LOXL2
SCHEMBL291237 0.76 TSHR (0.61) TSHRIDO1KCNH2KCNJ1LOXL2
SCHEMBL4930091 0.76 TSHR (0.61) TSHRKCNH2KCNJ1LOXL2ALDH1A1

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1225205-B1 Carbon black reacted with diazonium salts and products CABOT CORP (US) 2010-10-06 EP disclosed
EP-1942156-B1 Carbon black reacted with diazonium salts and products CABOT CORP (US) 2010-04-14 EP disclosed
EP-1942156-A1 Carbon black reacted with diazonium salts and products Cabot Corporation (US) 2008-07-09 EP disclosed
US-7294185-B2 In absence of exterior applies electrical current; wear resistance CABOT CORPORATION (US) 2007-11-13 US disclosed
EP-0799281-B2 CARBON BLACK REACTED WITH DIAZONIUM SALTS AND PRODUCTS CABOT CORP (US) 2006-03-29 EP disclosed
US-20050034629-A1 In absence of exterior applies electrical current; wear resistance BELMONT JAMES A (US) 2005-02-17 US disclosed
US-6740151-B2 IN THE ABSENCE OF AN EXTERNALLY APPLIED ELECTRIC CURRENT SUFFICIENT TO REDUCE THE DIAZONIUM SALT AND ATTACH AN ORGANIC GROUP; IMPROVED ABRASION RESISTANCE. CABOT CORPORATION 2004-05-25 US disclosed
US-20030095914-A1 In the absence of an externally applied electric current sufficient to reduce the diazonium salt and attach an organic group; improved abrasion resistance. BELMONT JAMES A (US) 2003-05-22 US disclosed
US-6494946-B1 PROCESSES FOR PREPARING A CARBON BLACK PRODUCT HAVING AN ORGANIC GROUP ATTACHED TO THE CARBON BLACK. IN ONE PROCESS AT LEAST ONE DIAZONIUM SALT REACTS WITH A CARBON BLACK IN THE ABSENCE OF AN EXTERNALLY APPLIED ELECTRIC CURRENT SUFFICIENT CABOT CORPORATION 2002-12-17 US disclosed
EP-0799281-B1 CARBON BLACK REACTED WITH DIAZONIUM SALTS AND PRODUCTS CABOT CORP (US) 2002-07-24 EP disclosed
EP-1225205-A2 Carbon black reacted with diazonium salts and products CABOT CORPORATION (US) 2002-07-24 EP disclosed
US-6042643-A AS PIGMENT TO COLOR PLASTICS, PAPER, TEXTILE, RUBBER, AQUEOUS INKS CABOT CORPORATION (US) 2000-03-28 US disclosed
US-5900029-A COLORING FIBER OR TEXTILE CABOT CORPORATION (US) 1999-05-04 US disclosed
US-5851280-A Reaction of carbon black with diazonium salts, resultant carbon black products and their uses CABOT CORPORATION (US) 1998-12-22 US disclosed
EP-0799281-A1 CARBON BLACK REACTED WITH DIAZONIUM SALTS AND PRODUCTS CABOT CORPORATION (US) 1997-10-08 EP disclosed
WO-1996018688-A1 CARBON BLACK REACTED WITH DIAZONIUM SALTS AND PRODUCTS CABOT CORPORATION (US) 1996-06-20 WO disclosed