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Sugi Predict / Compounds / 2-Mercaptoethanol

2-Mercaptoethanol

2-Mercaptoethanol

SCHEMBL4456151

CC1=CCCC(C)(C)C1C(=O)CC(C)SCCO.OCCS

nearest known ligand 0.34

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Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL1404280 0.95 ALDH1A1 (0.37) ALDH1A1CYP3A4ALOX15TDP1
SCHEMBL13896957 0.83 ALDH1A1 (0.38) ALDH1A1CYP3A4ALOX15TDP1
SCHEMBL18039295 0.82 EPHX1 (0.38) ALDH1A1CYP3A4ALOX15TDP1
SCHEMBL11032438 0.80 ALDH1A1 (0.40) ALDH1A1CYP3A4ALOX15TDP1
SCHEMBL24715086 0.78 ALDH1A1 (0.38) ALDH1A1CYP3A4ALOX15TDP1
SCHEMBL11855453 0.78 ALDH1A1 (0.42) ALDH1A1CYP3A4ALOX15TDP1
SCHEMBL1891917 0.76 ALDH1A1 (0.43) ALDH1A1CYP3A4ALOX15TDP1
SCHEMBL16863842 0.72 ALDH1A1 (0.39) ALDH1A1CYP3A4ALOX15TDP1
SCHEMBL1889037 0.70 ALDH1A1 (0.38) ALDH1A1CYP3A4ALOX15TDP1
SCHEMBL14046865 0.70 ALDH1A1 (0.36) ALDH1A1CYP3A4ALOX15TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2074154-A1 POLYMER CONJUGATES FOR A CONTROLLED RELEASE OF ACTIVE MOLECULES FIRMENICH SA (CH) 2009-07-01 — — EP disclosed
WO-2008044178-A1 POLYMER CONJUGATES FOR A CONTROLLED RELEASE OF ACTIVE MOLECULES FIRMENICH SA (CH) 2008-04-17 — — WO disclosed