SCHEMBL6862335

SCHEMBL6862335

CC(C)C(C)(/N=N/C(C)(C(=O)O)C(C)C)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
ALDH1A1 P00352 1/20 0.38
SLC7A5 Q01650 1/20 0.32
TP53 P04637 1/20 0.32
CYP2D6 P10635 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 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
SCHEMBL1521232 1.00 TSHR (0.38) TSHRALDH1A1SLC7A5TP53CYP2D6
SCHEMBL37014 0.91 ALDH1A1 (0.32) TSHRALDH1A1
SCHEMBL37013 0.91 ALDH1A1 (0.32) TSHRALDH1A1
SCHEMBL5332294 0.80
SCHEMBL29078866 0.79 ALDH1A1 (0.35) TSHRALDH1A1
SCHEMBL8140495 0.77 GABRR1 (0.32) CYP1A2
SCHEMBL811984 0.76
SCHEMBL1521400 0.76 SLC7A5 (0.31) SLC7A5
SCHEMBL2106039 0.75 ALDH1A1 (0.32) TSHRALDH1A1
SCHEMBL7978365 0.75 TSHR (0.33) TSHRALDH1A1CYP2D6CYP2C19HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6800419-B2 FOR USE AS CHEMICALLY-AMPLIFIED RESIST FOR MICROFABRICATION UTILIZING DEEP ULTRAVIOLET RAYS AND EXHIBITS EXCELLENT FILM THICKNESS UNIFORMITY AND STORAGE STABILITY JSR CORPORATION (JP) 2004-10-05 US disclosed
US-20030203307-A1 Radiation-sensitive resin composition JSR CORPORATION (JP) 2003-10-30 US disclosed
JP-2001335654-A FOAMING AGENT FOR SILICONE, FOAMING SILICONE COMPOSITION, AND SILICONE FOAMING MATERIAL OTSUKA CHEM CO LTD 2001-12-04 JP disclosed