SCHEMBL9653301

SCHEMBL9653301

C=C(C)C(=O)NC(CC)OC(C)OC(CC)NC(=O)C(=C)C.C=C(C)C(=O)NCCOC(=O)C(=C)C

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.41
TSHR P16473 3/20 0.37
TGFBR1 P36897 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
SCHEMBL167251 0.83 TGFBR1 (0.42) TSHRTGFBR1
SCHEMBL194228 0.80 THRB (0.55) THRBTSHRTGFBR1
SCHEMBL9404197 0.76 ALDH1A1 (0.43) THRBTSHR
SCHEMBL16309318 0.75 THRB (0.52) THRBTSHR
SCHEMBL16805859 0.75 THRB (0.47) THRBTSHRTGFBR1
SCHEMBL28828026 0.74 THRB (0.49) THRBTSHR
SCHEMBL18124153 0.74 TGFBR1 (0.42) TSHRTGFBR1
SCHEMBL13360094 0.73 TSHR (0.46) THRBTSHR
SCHEMBL13758059 0.73 THRB (0.40) THRBTSHRTGFBR1
SCHEMBL13135081 0.73 THRB (0.36) THRBTSHRTGFBR1

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-5106722-A Photoiniators having cyclopentadieneyl or indenyl groups and fluorinated aryl or heterocyclic ring; photoresists of unsaturated compounds CIBA-GEIGY CORPORATION (US) 1992-04-21 US disclosed