Mercaptopropionic Acid

Mercaptopropionic Acid

SCHEMBL7063475

O=C(CCS)OCO.O=C(O)CCS

nearest known ligand 0.44

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Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.44
FOLH1 Q04609 4/20 0.41
LMNA P02545 3/20 0.35
ALKBH5 Q6P6C2 1/20 0.35
SUCNR1 Q9BXA5 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
ANPEP P15144 3/20 0.34
ENPEP Q07075 3/20 0.34
CAMK2A Q9UQM7 1/20 0.33
TSHR P16473 1/20 0.32
SLC22A6 Q4U2R8 1/20 0.32
PAM P19021 2/20 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
SCHEMBL968544 0.91 ACE (0.35) ACEFOLH1TSHR
SCHEMBL28138317 0.91
SCHEMBL1237232 0.80 LMNA (0.50) FOLH1LMNAALKBH5SUCNR1EGLN1
SCHEMBL25527247 0.79 ACE (0.46) ACEFOLH1LMNAALKBH5SUCNR1
Mercaptopropionic Acid SCHEMBL28126751 0.78 ACE (0.50) ACEFOLH1LMNAALKBH5SUCNR1
Mercaptopropionic Acid SCHEMBL7289 0.77
Mercaptopropionic Acid SCHEMBL29228074 0.77 ACE (0.67) ACEFOLH1LMNAALKBH5SUCNR1
Mercaptopropionic Acid SCHEMBL10853644 0.77 ACE (0.67) ACEFOLH1LMNAALKBH5SUCNR1
Mercaptopropionic Acid SCHEMBL6136562 0.77 ACE (0.40) ACEFOLH1LMNAALKBH5SUCNR1
SCHEMBL2177185 0.76 TSHR (0.56) FOLH1LMNAALKBH5SUCNR1EGLN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6743886-B2 CATALYTIC POLYMERIZATION OF SUCH AS BIS(BETA-EPITHIOPROPYL)-SULFIDE, BIS(MERCAPTOMETHYL)-1,4-DITHIAN, BIS(ISOCYANATO-METHYL)-1,4-DITHIAN AND DI(ISOCYANATOMETHYL)BICYCLOHEPTANE; IMPACT STRENGTH; HIGH REFRACTIVE INDEX AND ABBE'S NUMBER HOYA CORPORATION (JP) 2004-06-01 US disclosed