SCHEMBL5843418

SCHEMBL5843418

C=C(C)C(=O)OC(C)N(C(=O)C(=C)C)C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL10961554 0.80 TSHR (0.36) TSHRALDH1A1
SCHEMBL499464 0.79 TSHR (0.39) TSHRALDH1A1
SCHEMBL16295839 0.78 TSHR (0.38) TSHRALDH1A1
SCHEMBL11465609 0.74 TSHR (0.45) TSHRALDH1A1
SCHEMBL17764940 0.74 TSHR (0.38) TSHRALDH1A1
Chloromethane SCHEMBL127391 0.73 TSHR (0.41) TSHRALDH1A1
SCHEMBL14983 0.72 TSHR (0.43) TSHRALDH1A1
SCHEMBL8401742 0.72 TSHR (0.43) TSHRALDH1A1
Chloromethane SCHEMBL28788344 0.72 TSHR (0.39) TSHRALDH1A1
Chloromethane SCHEMBL28164388 0.72 TSHR (0.39) TSHRALDH1A1

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-7071351-B2 Synthesis of alkylaminoalkyl (meth)acrylate by transesterification ROEHM GMBH & CO. KG (DE) 2006-07-04 US disclosed