SCHEMBL1733263

SCHEMBL1733263

C=C(C)C(=O)OCCOC(=O)C12CC3(C(=O)O)CC(C(=O)O)(CC(C(=O)O)(C3)C1)C2

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.47
TSHR P16473 3/20 0.42
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 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
SCHEMBL6559175 0.93 THRB (0.53) THRBTSHRALDH1A1SMN1; SMN2POLB
SCHEMBL1733349 0.86 NPSR1 (0.43) THRBTSHRALDH1A1SMN1; SMN2POLB
SCHEMBL7797340 0.85 SMN1; SMN2 (0.54) THRBTSHRALDH1A1SMN1; SMN2POLB
SCHEMBL1732456 0.83 THRB (0.47) THRBTSHRALDH1A1SMN1; SMN2POLB
SCHEMBL6559249 0.82 NPSR1 (0.47) THRBTSHRALDH1A1SMN1; SMN2POLB
SCHEMBL7797307 0.80 SMN1; SMN2 (0.51) THRBTSHRALDH1A1SMN1; SMN2POLB
SCHEMBL6559851 0.80 NPSR1 (0.58) THRBTSHRALDH1A1HTTNPSR1
SCHEMBL7797298 0.80 SMN1; SMN2 (0.51) THRBTSHRALDH1A1SMN1; SMN2POLB
SCHEMBL7797327 0.78 TSHR (0.53) THRBTSHRALDH1A1SMN1; SMN2POLB
SCHEMBL28138112 0.78 THRB (0.71) THRBTSHRALDH1A1SMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1443363-B1 Photoresist composition DAICEL CHEM (JP) 2013-07-10 EP disclosed
EP-0999474-B1 Photoresist resin composition and method for forming a pattern DAICEL CHEM (JP) 2011-11-23 EP disclosed
EP-1443363-A2 Compounds for photoresist and resin composition for photoresist Daicel Chemical Industries, Ltd. (JP) 2004-08-04 EP disclosed
US-6391520-B1 ADAMANTANE COMPOUND OR POLYMER AND PHOTOACID GENERATORS; ETCHING RESISTANCE; SOLUBILIZABLE BY IRRADIATION WITH LIGHT; MINUTE PATTERNS DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2002-05-21 US disclosed
EP-0999474-A1 COMPOUNDS FOR PHOTORESIST AND RESIN COMPOSITION FOR PHOTORESIST Daicel Chemical Industries, Ltd. (JP) 2000-05-10 EP disclosed