SCHEMBL2583853

SCHEMBL2583853

S=C(SC1CCCC1)SC1CCCC1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.38
PHGDH O43175 2/20 0.33
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
FAAH O00519 1/20 0.31
TSHR P16473 1/20 0.30

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
SCHEMBL3074321 0.97 MGLL (0.42) MGLLPHGDHALDH1A1TP53CYP3A4
SCHEMBL11570146 0.82 MGLL (0.36) MGLLPHGDHALDH1A1TP53CYP3A4
SCHEMBL2807856 0.77 MGLL (0.40) MGLLPHGDHALDH1A1TP53CYP3A4
SCHEMBL27685214 0.77
SCHEMBL7741300 0.77 MGLL (0.40) MGLLPHGDHALDH1A1TP53CYP3A4
SCHEMBL27686549 0.77
SCHEMBL3081950 0.77 MGLL (0.37) MGLLPHGDHFAAH
SCHEMBL28515771 0.75 MGLL (0.33) MGLLPHGDH
SCHEMBL11444353 0.75 MGLL (0.39) MGLLPHGDHALDH1A1TP53CYP3A4
SCHEMBL27565787 0.75 MGLL (0.39) MGLLPHGDHALDH1A1TP53CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1809726-B1 USE OF 1,3-DITHIOLANE-2-THIONE ADDITIVES FOR LUBRICANTS LANXESS SOLUTIONS US INC (US) 2019-08-28 EP disclosed
US-8048832-B2 1,3 dithiolane-2-thione additives for lubricants and fuels CHEMTURA CORPORATION (US) 2011-11-01 US disclosed
US-20090181870-A1 1,3 DITHIOLANE-2-THIONE ADDITIVES FOR LUBRICANTS AND FUELS CHEMTURA CORPORATION (US) 2009-07-16 US disclosed
US-7541319-B2 1,3-dithiolane-2-thione additives for lubricants and fuels CHEMTURA CORPORATION (US) 2009-06-02 US disclosed
EP-1809726-A2 1,3-DITHIOLANE-2-THIONE ADDITIVES FOR LUBRICANTS AND FUELS CHEMTURA CORPORATION (US) 2007-07-25 EP disclosed
WO-2006047011-A2 1,3-DITHIOLANE-2-THIONE ADDITIVES FOR LUBRICANTS AND FUELS CHEMTURA CORPORATION (US) 2006-05-04 WO disclosed
US-20060089273-A1 1,3-Dithiolane-2-thione additives for lubricants and fuels LANXESS SOLUTIONS US INC. 2006-04-27 US disclosed