SCHEMBL5086037

SCHEMBL5086037

CC(SSSC(C)C(=O)O)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.42
ALDH1A1 P00352 2/20 0.38
HSD17B10 Q99714 1/20 0.38
LMNA P02545 2/20 0.35
KDM4E B2RXH2 1/20 0.35
SLC7A5 Q01650 2/20 0.35
CHRM1 P11229 1/20 0.33
AKR1A1 P14550 1/20 0.33
CHRM3 P20309 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33
DRD3 P35462 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 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.

Compoundsimilaritytop predictedshared targets
SCHEMBL95981 0.87 TP53 (0.47) TP53ALDH1A1HSD17B10LMNAKDM4E
Ammonia Solution, Strong SCHEMBL8958635 0.84 TP53 (0.44) TP53ALDH1A1HSD17B10LMNAKDM4E
SCHEMBL11317937 0.84 TP53 (0.44) TP53ALDH1A1HSD17B10LMNAKDM4E
Hydrogen Sulfide SCHEMBL9001004 0.84 TP53 (0.44) TP53ALDH1A1HSD17B10LMNAKDM4E
Acetic Acid SCHEMBL6932728 0.81 FFAR3 (0.44) TP53ALDH1A1HSD17B10LMNAKDM4E
SCHEMBL1641494 0.79
Acetic Acid SCHEMBL20593502 0.79 FFAR3 (0.41) TP53ALDH1A1HSD17B10LMNAKDM4E
SCHEMBL9715475 0.79
SCHEMBL16303293 0.77 TP53 (0.38) TP53ALDH1A1HSD17B10LMNAKDM4E
SCHEMBL25385810 0.75 ALDH1A1 (0.30) ALDH1A1TDP1

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 57 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117959425-A Docetaxel prodrug and hematoporphyrin co-assembled nanoparticle as well as preparation method and application thereof 山西医科大学 2024-05-03 CN claimed
CN-115300637-A Chalcogen hybrid bond bridged dimer prodrug, self-assembled nanoparticles thereof, preparation method and application 沈阳药科大学 2022-11-08 CN claimed
EP-1721932-B1 Pneumatic tire with built-in sealant containing pre-hydrophobated silica GOODYEAR TIRE & RUBBER (US) 2008-08-13 EP claimed
US-20060254687-A1 Pneumatic tire with built-in sealant containing pre-hydrophobated silica SANDSTROM PAUL H 2006-11-16 US claimed
EP-1721932-A1 Pneumatic tire with built-in sealant containing pre-hydrophobated silica THE GOODYEAR TIRE & RUBBER COMPANY (US) 2006-11-15 EP claimed
US-6797757-B2 RUBBER BLEND CONTAINING (TRI OR TETRA)SULFURDIPROPIONIC ACID THE GOODYEAR TIRE & RUBBER COMPANY 2004-09-28 US claimed
US-6660791-B2 For recycling/wastes via grinding, compounding with carbon black, then vulcanizing with sulfur THE GOODYEAR TIRE & RUBBER COMPANY 2003-12-09 US claimed
US-6653387-B2 Composite of aluminum oxide hydroxide and tetrathiodipropionic acid and/or trithiodipropionic acid coupler THE GOODYEAR TIRE & RUBBER COMPANY 2003-11-25 US claimed
US-20030060572-A1 Alumina reinforced rubber composition which contains tetrathiodipropionic and/or trithiodipropionic acid coupling agent and article of manufacture, including a tire, having at least one component comprised of such rubber composition GOODYEAR TIRE & RUBBER COMPANY, THE 2003-03-27 US claimed
US-20030032685-A1 Article, including tires, having component of rubber composition which contains particles of pre-vulcanized rubber and high purity trithiodipropionic acid GOODYEAR TIRE & RUBBER COMPANY, THE 2003-02-13 US claimed
EP-1277793-A2 Article having a component of a rubbber composition which contains particles of prevulcanized rubber and a blend of tetrathiodipropionic and trithiodipropionic acids THE GOODYEAR TIRE & RUBBER COMPANY (US) 2003-01-22 EP claimed
US-20030004243-A1 Article, including tires, having component of rubber composition which contains particles of pre-vulcanized rubber and blend of tetrathiodipropionic and trithiodipropionic acids GOODYEAR TIRE & RUBBER COMPANY, THE 2003-01-02 US claimed
EP-1270661-A2 Article having a component of a rubber composition which contains particles of pre-vulcanized rubber and high purity trithiodiproponic acid THE GOODYEAR TIRE & RUBBER COMPANY (US) 2003-01-02 EP claimed
EP-0780429-A1 Silica-filled rubber compositions containing a mixture of dithiodipropionic acid, trithiodipropionic acid and tetrethiodipropionic acid THE GOODYEAR TIRE & RUBBER COMPANY (US) 1997-06-25 EP claimed
JP-9176381-A None JP disclosed
JP-63265997-A None JP disclosed
CN-118634194-A Active targeting and response type double-drug-carrying synergistic nano drug-carrying micelle and application thereof 贵州大学 2024-09-13 CN disclosed
EP-0780429-A1 Silica-filled rubber compositions containing a mixture of dithiodipropionic acid, trithiodipropionic acid and tetrethiodipropionic acid THE GOODYEAR TIRE & RUBBER COMPANY (US) 1997-06-25 EP disclosed
EP-0780429-A1 Silica-filled rubber compositions containing a mixture of dithiodipropionic acid, trithiodipropionic acid and tetrethiodipropionic acid THE GOODYEAR TIRE & RUBBER COMPANY (US) 1997-06-25 EP disclosed
JP-S63265997-A AQUEOUS LUBRICANT IDEMITSU KOSAN CO LTD 1988-11-02 JP disclosed