SCHEMBL8046461

SCHEMBL8046461

C=CC(C)(C)OC(=O)CBr

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP2C19 P33261 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL2961856 0.82 MGAM (0.33) ALDH1A1L3MBTL1
SCHEMBL14087276 0.80 ALDH1A1 (0.37) ALDH1A1L3MBTL1
SCHEMBL4672677 0.80 L3MBTL1 (0.30) L3MBTL1
SCHEMBL4676726 0.78
SCHEMBL4672553 0.78
SCHEMBL28274979 0.78 ALDH1A1 (0.31) ALDH1A1
SCHEMBL8048124 0.78 TRPA1 (0.39) TRPA1ALDH1A1CYP2C19
SCHEMBL8048123 0.78 TRPA1 (0.39) TRPA1ALDH1A1CYP2C19
SCHEMBL9808502 0.77 LMNA (0.46) ALDH1A1
SCHEMBL8150779 0.77 GAA (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-9235321-A None JP disclosed
US-6010826-A Resist composition NIPPON ZEON CO., LTD. (JP) 2000-01-04 US disclosed
JP-H09235321-A NEW ESTER AND ITS USE NIPPON ZEON CO LTD 1997-09-09 JP disclosed
EP-0786701-A1 RESIST COMPOSITION NIPPON ZEON CO., LTD. (JP) 1997-07-30 EP disclosed