SCHEMBL29657252

SCHEMBL29657252

C=C(C)C(=O)OOCC.C=C(C)C(=O)OOCC

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.48
ALDH1A1 P00352 8/20 0.46
TSHR P16473 5/20 0.42
HSD17B10 Q99714 2/20 0.36
LMNA P02545 1/20 0.36
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
TDP1 Q9NUW8 3/20 0.33
GLO1 Q04760 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
SCHEMBL2355276 1.00
Ammonia Solution, Strong SCHEMBL10537648 0.98 THRB (0.47) THRBALDH1A1TSHRHSD17B10LMNA
Methacrylic Acid SCHEMBL6048621 0.93 THRB (0.44) THRBALDH1A1TSHRHSD17B10LMNA
Methacrylic Acid SCHEMBL18064444 0.93 THRB (0.44) THRBALDH1A1TSHRHSD17B10LMNA
Ethylene Glycol SCHEMBL5349600 0.93 THRB (0.44) THRBALDH1A1TSHRHSD17B10LMNA
Urea SCHEMBL25380816 0.91 THRB (0.42) THRBALDH1A1TSHRHSD17B10LMNA
SCHEMBL29167990 0.91 THRB (0.42) THRBALDH1A1TSHRHSD17B10LMNA
Phosphoric Acid SCHEMBL28149426 0.91 THRB (0.42) THRBALDH1A1TSHRHSD17B10LMNA
SCHEMBL29703359 0.89 THRB (0.46) THRBALDH1A1TSHRHSD17B10LMNA
Vinyl Ether SCHEMBL273446 0.88 THRB (0.40) THRBALDH1A1TSHRGLO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109568673-B Novel antibiotic bone cement and preparation method thereof 上海尚融生物科技有限公司 2022-05-13 CN disclosed