SCHEMBL3589369

SCHEMBL3589369

C=C(C)C(=O)OCNCC

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.48
TSHR P16473 4/20 0.47
ALDH1A1 P00352 5/20 0.46
MGAM O43451 2/20 0.36
GAA P10253 2/20 0.36
SI P14410 2/20 0.36
MGAM2 Q2M2H8 2/20 0.36
TDP1 Q9NUW8 2/20 0.33
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MAPT P10636 1/20 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
SCHEMBL11253036 0.84 TSHR (0.48) THRBTSHRALDH1A1MGAMGAA
SCHEMBL28049882 0.84 THRB (0.67) THRBTSHRALDH1A1MGAMGAA
SCHEMBL11330084 0.83 TSHR (0.48) THRBTSHRALDH1A1MGAMGAA
Diethylamine SCHEMBL2967587 0.83 THRB (0.53) THRBTSHRALDH1A1MGAMGAA
SCHEMBL28189772 0.81 ALDH1A1 (0.31) THRBTSHRALDH1A1MGAMGAA
SCHEMBL22805669 0.80 TSHR (0.55) THRBTSHRALDH1A1GAA
Diethylamine SCHEMBL6510741 0.79 TSHR (0.58) THRBTSHRALDH1A1MGAMGAA
SCHEMBL110870 0.79 THRB (0.55) THRBTSHRALDH1A1MGAMGAA
Hydrochloric Acid SCHEMBL23116684 0.78 THRB (0.53) THRBTSHRALDH1A1MGAMGAA
Bromide SCHEMBL7193814 0.78 THRB (0.53) THRBTSHRALDH1A1MGAMGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021122709-A1 TEXTILE COATED WITH MALODOR REDUCING POLYMERS BASF SE (DE) 2021-06-24 WO disclosed
US-RE41615-E1 Crosslinked, water-soluble or water-dispersible polyurethanes BASF SE (DE) 2010-08-31 US disclosed
US-RE39936-E1 Crosslinked, water-soluble or water-dispersible polyurethanes BASF AKTIENGESELLSCHAFT (DE) 2007-12-04 US disclosed
US-6932964-B1 Copolymer of a tert-butyl acrylate and/or an N-tert-butylacrylamide, at least acrylic mono- and/or dicarboxylic acid, and at least one ethoxylated acrylic compound; high propellant gas compatibility and no \"flaking\" effect; hair sprays BASF AKTIENGESELLSCHAFT (DE) 2005-08-23 US disclosed
US-6579517-B1 Crosslinked, water soluble polyurethane; hair setting BASF AKTIENGESELLSCHAFT (DE) 2003-06-17 US disclosed
US-6489397-B2 FROM A PREPOLYMER HAVING TERMINAL ISOCYANATE GROUPS AND CONTAINING IONIC GROUPS AND A POLYMER CONTAINING GROUPS WHICH ARE REACTIVE TOWARD ISOCYANATE GROUPS, ESPECIALLY AN ADDITION POLYMER BASF AKTIENGESELLSCHAFT (DE) 2002-12-03 US disclosed
US-20020032276-A1 Crosslinked, water-soluble or water-dispersible polyurethanes KIM SON NGUYEN (DE) 2002-03-14 US disclosed
US-6262176-B1 FOR COATING DRUG FORMS; IN COSMETICS BASF AKTIENGESELLSCHAFT (DE) 2001-07-17 US disclosed
WO-1986004070-A1 HYDROABSORBENT RESINS, PRODUCTION METHOD AND APPLICATION THEREOF FOR OBTAINING ARTICLES CAPABLE OF ABSORBING AQUEOUS FLUIDS SOCIETE CHIMIQUE DES CHARBONNAGES S.A. (FR) 1986-07-17 WO disclosed