SCHEMBL20210992

SCHEMBL20210992

C=CC(=O)N(C)C(C)CO

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.34
CHRNB4 P30926 2/20 0.34
CHRNA4 P43681 2/20 0.34
CHRNA3 P32297 1/20 0.34
TSHR P16473 3/20 0.33
BCL2A1 Q16548 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL4732343 0.83 TSHR (0.41) CHRNB2CHRNB4CHRNA4CHRNA3TSHR
SCHEMBL27865442 0.80 ALDH1A1 (0.32) TSHRBCL2A1ALDH1A1
SCHEMBL5133033 0.80 TSHR (0.34) CHRNB2CHRNB4CHRNA4CHRNA3TSHR
SCHEMBL308456 0.77
SCHEMBL16776783 0.77 TSHR (0.37) CHRNB2CHRNB4CHRNA4CHRNA3TSHR
Hydrochloric Acid SCHEMBL22264049 0.76 MAPT (0.36) CHRNB2CHRNB4CHRNA4CHRNA3TSHR
SCHEMBL1720846 0.76 CHRNB2 (0.31) CHRNB2CHRNB4CHRNA4CHRNA3
SCHEMBL14219349 0.75 ZDHHC20 (0.41) TSHRALDH1A1
SCHEMBL19569824 0.75 ALDH1A1 (0.30) CHRNB2CHRNB4CHRNA4CHRNA3TSHR
SCHEMBL646634 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210139634-A1 USE OF ACRYLIC ACID ESTERS AND AMIDES FOR REDUCING EMISSIONS OF A POLYURETHANE FOAM COVESTRO DEUTSCHLAND AG (DE) 2021-05-13 US claimed
US-20200079923-A1 USE OF ACRYLIC ACID ESTERS AND AMIDES FOR REDUCING EMISSIONS OF A POLYURETHANE FOAM COVESTRO DEUTSCHLAND AG (DE) 2020-03-12 US claimed
EP-3548532-A1 USE OF ACRYLIC ACID ESTERS AND AMIDES FOR REDUCING EMISSIONS OF A POLYURETHANE FOAM Covestro Deutschland AG (DE) 2019-10-09 EP claimed
WO-2018104222-A1 USE OF ACRYLIC ACID ESTERS AND AMIDES FOR REDUCING EMISSIONS OF A POLYURETHANE FOAM COVESTRO DEUTSCHLAND AG (DE) 2018-06-14 WO claimed
EP-3330307-A1 USE OF ACRYLIC ACID ESTERS AND AMIDES FOR REDUCING EMISSIONS OF A POLYURETHANE FOAM Covestro Deutschland AG (DE) 2018-06-06 EP claimed
US-20210139634-A1 USE OF ACRYLIC ACID ESTERS AND AMIDES FOR REDUCING EMISSIONS OF A POLYURETHANE FOAM COVESTRO DEUTSCHLAND AG (DE) 2021-05-13 US disclosed
US-20200079923-A1 USE OF ACRYLIC ACID ESTERS AND AMIDES FOR REDUCING EMISSIONS OF A POLYURETHANE FOAM COVESTRO DEUTSCHLAND AG (DE) 2020-03-12 US disclosed
EP-3548532-A1 USE OF ACRYLIC ACID ESTERS AND AMIDES FOR REDUCING EMISSIONS OF A POLYURETHANE FOAM Covestro Deutschland AG (DE) 2019-10-09 EP disclosed
WO-2018104222-A1 USE OF ACRYLIC ACID ESTERS AND AMIDES FOR REDUCING EMISSIONS OF A POLYURETHANE FOAM COVESTRO DEUTSCHLAND AG (DE) 2018-06-14 WO disclosed
EP-3330307-A1 USE OF ACRYLIC ACID ESTERS AND AMIDES FOR REDUCING EMISSIONS OF A POLYURETHANE FOAM Covestro Deutschland AG (DE) 2018-06-06 EP disclosed