SCHEMBL28253545

SCHEMBL28253545

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

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
HCAR2 Q8TDS4 1/20 0.38
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CA1 P00915 2/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL552060 0.83 TSHR (0.39) TSHRALOX15HSD17B10
SCHEMBL29732580 0.83 TSHR (0.47) TSHRALOX15HSD17B10CA1TDP1
SCHEMBL23251 0.80 CA1 (0.48) ALOX15HSD17B10CA1
Itaconate SCHEMBL5897740 0.80 ALOX15 (0.58) TSHRHCAR2ALOX15HSD17B10
SCHEMBL6241875 0.80 HSD17B10 (0.38) TSHRALOX15HSD17B10
Methacrylic Acid SCHEMBL15309812 0.78 HCAR2 (0.33) TSHRHCAR2ALOX15HSD17B10
Methacrylic Acid SCHEMBL3334650 0.77 HCAR2 (0.47) TSHRHCAR2HSD17B10CA1
SCHEMBL25921 0.76
SCHEMBL31332333 0.76 HCAR2 (0.52) TSHRHCAR2HSD17B10CA1
SCHEMBL4441089 0.75 ALOX15 (0.35) TSHRALOX15HSD17B10

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
CN-109504015-A Electrochromic polymeric compounds material based on combined strategy and prepare electrochromic device 常州铱视光电科技有限公司 2019-03-22 CN claimed
CN-108795407-A Based on the electroluminescent sour electrochromic material acted on and prepare electrochromic device 常州铱视光电科技有限公司 2018-11-13 CN claimed
CN-108949141-A The preparation method of bistable state electrochromic material and it is used to prepare electrochromic device 常州铱视光电科技有限公司 2018-12-07 CN disclosed
CN-108795407-A Based on the electroluminescent sour electrochromic material acted on and prepare electrochromic device 常州铱视光电科技有限公司 2018-11-13 CN disclosed