SCHEMBL1733349

SCHEMBL1733349

C=C(C)C(=O)OCCOC(=O)C12CC3CC(C(=O)O)(CC(C(=O)O)(C3)C1)C2

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.43
THRB P10828 1/20 0.41
TSHR P16473 3/20 0.37
ALDH1A1 P00352 6/20 0.36
HTT P42858 2/20 0.35
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
LMNA P02545 1/20 0.33
CYP17A1 P05093 1/20 0.31
CYP19A1 P11511 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PKM P14618 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL6559249 0.94 NPSR1 (0.47) NPSR1THRBTSHRALDH1A1HTT
SCHEMBL1733263 0.86 THRB (0.47) NPSR1THRBTSHRALDH1A1HTT
SCHEMBL6559851 0.85 NPSR1 (0.58) NPSR1THRBTSHRALDH1A1HTT
SCHEMBL1733493 0.84 NPSR1 (0.42) NPSR1THRBTSHRALDH1A1HTT
SCHEMBL6559175 0.83 THRB (0.53) NPSR1THRBTSHRALDH1A1HTT
SCHEMBL11299461 0.82 ALDH1A1 (0.48) NPSR1THRBTSHRALDH1A1LMNA
SCHEMBL7799311 0.80 NPSR1 (0.56) NPSR1THRBTSHRALDH1A1HTT
SCHEMBL7791073 0.80 NPSR1 (0.56) NPSR1THRBTSHRALDH1A1HTT
SCHEMBL7797332 0.79 NPSR1 (0.55) NPSR1THRBTSHRALDH1A1HTT
SCHEMBL7797293 0.79 NPSR1 (0.55) NPSR1THRBTSHRALDH1A1HTT

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