SCHEMBL8437347

SCHEMBL8437347

C=CC(=O)OCC(O)CNC(C)(C)C

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 11/20 0.54
ADRB1 P08588 11/20 0.54
ADRB3 P13945 11/20 0.54
TSHR P16473 1/20 0.50

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
SCHEMBL8422160 0.81 TSHR (0.55) ADRB2ADRB1ADRB3TSHR
SCHEMBL12285989 0.81 TSHR (0.47) ADRB2ADRB1ADRB3TSHR
Hydrochloric Acid SCHEMBL5696148 0.79 TSHR (0.53) ADRB2ADRB1ADRB3TSHR
SCHEMBL11383012 0.78 TSHR (0.45) ADRB2ADRB1ADRB3TSHR
SCHEMBL11383009 0.78 TSHR (0.45) ADRB2ADRB1ADRB3TSHR
SCHEMBL95157 0.78 TSHR (0.64) ADRB2ADRB1ADRB3TSHR
SCHEMBL11306468 0.77 TSHR (0.44) ADRB2ADRB1ADRB3TSHR
Acrylic Acid Methyl Ester SCHEMBL27859782 0.77 TSHR (0.59) ADRB2ADRB1ADRB3TSHR
SCHEMBL8019414 0.77 ADRB2 (0.54) ADRB2ADRB1ADRB3TSHR
Hydrochloric Acid SCHEMBL9139239 0.77 KDM4E (0.52) ADRB2ADRB1ADRB3TSHR

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-5948546-A POLYMERIZED UNITS OF AN ACRYLATE/METHACRYLATE MONOMER SELECTED FROM A ALKYL ACRYLATE OR A ALKYL METHACRYLATE AND POLYMERIZED UNITS OF AN AMINO(METH)ACRYLATE, AN AMINO(METH)ACRYLAMIDE AND A VINYL AMINE (E.G., 4-VINYLPYRIDINE). AIR PRODUCTS AND CHEMICALS, INC. (US) 1999-09-07 US disclosed