SCHEMBL9577842

SCHEMBL9577842

CCCCCCCCCCCCCCCCCCC(C)C(=S)OCC(COC(=S)C(C)CCCCCCCCCCCCCCCCCC)(COC(=S)C(C)CCCCCCCCCCCCCCCCCC)COC(=S)C(C)CCCCCCCCCCCCCCCCCC

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.40
ACE2 Q9BYF1 1/20 0.37
FDPS P14324 4/20 0.36
SPHK1 Q9NYA1 1/20 0.36
ZDHHC7 Q9NXF8 1/20 0.36
LMNA P02545 1/20 0.35
CA12 O43570 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
FAAH O00519 1/20 0.35
SMPD1 P17405 3/20 0.33
OPRM1 P35372 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33

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
SCHEMBL31142399 1.00 CA1 (0.40) CA1ACE2FDPSSPHK1ZDHHC7
SCHEMBL560663 1.00 CA1 (0.40) CA1ACE2FDPSSPHK1ZDHHC7
SCHEMBL7749017 1.00 CA1 (0.40) CA1ACE2FDPSSPHK1ZDHHC7
SCHEMBL1823283 1.00 CA1 (0.40) CA1ACE2FDPSSPHK1ZDHHC7
SCHEMBL29498406 0.93 CA1 (0.38) CA1ACE2FDPSSPHK1ZDHHC7
SCHEMBL8846204 0.93 CA1 (0.38) CA1ACE2FDPSSPHK1ZDHHC7
SCHEMBL1010243 0.93 CA1 (0.38) CA1ACE2FDPSSPHK1ZDHHC7
SCHEMBL9696166 0.88 CA1 (0.39) CA1ACE2FDPSSPHK1ZDHHC7
Ethylene Glycol SCHEMBL9698307 0.83 CA1 (0.36) CA1ACE2FDPSSPHK1ZDHHC7
SCHEMBL9698545 0.83 CA1 (0.44) CA1ACE2FDPSSPHK1ZDHHC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024204093-A1 INKJET COMPOSITION FOR FORMING PARTITION WALL, LED MODULE AND METHOD FOR MANUFACTURING LED MODULE 積水化学工業株式会社 2024-10-03 WO disclosed
WO-2024204095-A1 INKJET COMPOSITION FOR PARTITION WALL FORMATION, LED MODULE, AND METHOD FOR PRODUCING LED MODULE 積水化学工業株式会社 2024-10-03 WO disclosed
EP-0292251-B1 Aromatic polyester composition and process for producing the same TORAY INDUSTRIES (JP) 1993-11-24 EP disclosed
US-4879328-A MOLDING MATERIALS TORAY INDUSTRIES (JP) 1989-11-07 US disclosed
EP-0292251-A2 Aromatic polyester composition and process for producing the same TORAY INDUSTRIES, INC. (JP) 1988-11-23 EP disclosed