SCHEMBL633576

SCHEMBL633576

COC(=O)C(O)SC(O)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.37
KMT2A Q03164 1/20 0.34
TP53 P04637 1/20 0.33
CA14 Q9ULX7 2/20 0.32
ALDH1A1 P00352 1/20 0.31
CA12 O43570 1/20 0.30
MME P08473 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
SCHEMBL109704 0.90 SMN1; SMN2 (0.43) SMN1; SMN2KMT2ACA14ALDH1A1CA12
Acetic Acid Methyl Ester SCHEMBL8892778 0.83 ALDH1A1 (0.50) TP53ALDH1A1
SCHEMBL1014781 0.80 TSHR (0.32) TP53
Methyl Alcohol SCHEMBL9810522 0.79 TP53 (0.44) SMN1; SMN2KMT2ATP53ALDH1A1
SCHEMBL41377 0.79 TSHR (0.44) SMN1; SMN2KMT2ATP53ALDH1A1
Ammonia Solution, Strong SCHEMBL339617 0.76 TSHR (0.41) SMN1; SMN2KMT2ATP53ALDH1A1
Ammonia Solution, Strong SCHEMBL2420015 0.76 TSHR (0.41) SMN1; SMN2KMT2ATP53ALDH1A1
Ammonia Solution, Strong SCHEMBL246433 0.76 TSHR (0.41) SMN1; SMN2KMT2ATP53ALDH1A1
SCHEMBL23853947 0.76 KMT2A (0.33) KMT2A
SCHEMBL3139582 0.74 HCAR2 (0.38) SMN1; SMN2ALDH1A1

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
CN-117486855-A Process for preparing 2, 5-thiophenedicarboxylic acid 三门峡奥科科技有限公司 2024-02-02 CN disclosed
EP-2072499-B1 Method for manufacturing thiodiglycolic dialkyl esters SALTIGO GMBH (DE) 2012-02-22 EP disclosed
US-7642371-B2 Process for preparing dialkyl thiodiglycolates SALTIGO GMBH (DE) 2010-01-05 US disclosed
US-20090163736-A1 PROCESS FOR PREPARING DIALKYL THIODIGLYCOLATES SALTIGO GMBH (DE) 2009-06-25 US disclosed
EP-2072499-A1 Method for manufacturing thiodiglycolic dialkyl esters Saltigo GmbH (DE) 2009-06-24 EP disclosed
US-6313342-B1 Synthesis of esters of mercaptocarboxylic acids ELF ATOCHEM S.A. (FR) 2001-11-06 US disclosed
US-5773641-A REACTING A HYDROSULFIDE WITH THE CORRESPONDING HALOCARBOXYLIC ESTER ELF ATOCHEM S.A. (FR) 1998-06-30 US disclosed