SCHEMBL7790120

SCHEMBL7790120

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

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.64
TDP1 Q9NUW8 1/20 0.64
ALDH1A1 P00352 3/20 0.39
TSHR P16473 1/20 0.39
LDHA P00338 1/20 0.35
SRR Q9GZT4 1/20 0.35
FFAR3 O14843 1/20 0.33
ALOX15 P16050 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
SCHEMBL75359 0.83
Acetic Acid SCHEMBL27678300 0.80 TDP1 (0.88) HSD17B10TDP1ALDH1A1TSHRFFAR3
SCHEMBL24573 0.80
SCHEMBL28079040 0.80 TDP1 (1.00) HSD17B10TDP1ALDH1A1TSHRFFAR3
SCHEMBL10738427 0.78 TDP1 (0.74) HSD17B10TDP1ALDH1A1TSHR
Benzene SCHEMBL11792513 0.78 HSD17B10 (0.82) HSD17B10TDP1ALDH1A1TSHRFFAR3
Acetic Acid SCHEMBL5680452 0.78 TDP1 (0.82) HSD17B10TDP1ALDH1A1TSHRFFAR3
Acetic Acid SCHEMBL7790121 0.78 LDHA (0.44) HSD17B10TDP1ALDH1A1TSHRLDHA
Acetone SCHEMBL7194632 0.77 TDP1 (0.93) HSD17B10TDP1ALDH1A1TSHR
Methyl Alcohol SCHEMBL2833259 0.77

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
CN-114077003-B Polarizing plate and optical display device including the same 三星SDI株式会社 2024-12-17 CN disclosed
EP-1083162-B1 Process for the preparation of 1,3-diketones WACKER CHEMIE GMBH (DE) 2001-12-19 EP disclosed
EP-1083162-A1 Process for the preparation of 1,3-diketones Wacker-Chemie GmbH (DE) 2001-03-14 EP disclosed