SCHEMBL27668274

SCHEMBL27668274

COS(=O)(=O)CC(C)O.[Zn]

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.30
TDP1 Q9NUW8 1/20 0.30
USP2 O75604 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
SCHEMBL27745824 0.97
SCHEMBL28463064 0.79
SCHEMBL28705763 0.79 TSHR (0.33) TSHRTDP1
SCHEMBL20004804 0.78 CA14 (0.34)
SCHEMBL8394007 0.76
SCHEMBL27339926 0.75
SCHEMBL10611469 0.75 ALDH1A1 (0.42) TSHRTDP1
SCHEMBL27957089 0.75
SCHEMBL28284909 0.75
SCHEMBL27878994 0.75 TRPV1 (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1906288-B Novel acyl alkyl isethionates and use in consumer products HUNTSMAN PETROCHEMICAL CORP. (US) 2016-01-06 CN disclosed
CN-103288686-B The preparation of acyl isethionate ester composition and production method HUNTSMAN SPEC CHEM CORP. (US) 2015-11-18 CN disclosed
CN-103315919-A Novel acylalkylisethionate esters and applications in consumer products HUNTSMAN SPEC CHEM CORP 2013-09-25 CN disclosed
CN-1906288-A Novel acyl alkyl isethionates and use in consumer products HUNTSMAN SPEC CHEM CORP (US) 2007-01-31 CN disclosed