SCHEMBL17628512

SCHEMBL17628512

CCC(O)OC(C)COCCCOC

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.38
HSD17B10 Q99714 1/20 0.35
SPHK1 Q9NYA1 1/20 0.33
USP2 O75604 1/20 0.33
HTT P42858 1/20 0.33
LPAR5 Q9H1C0 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
SCHEMBL9499918 0.85 TSHR (0.44) TSHRTDP1HSD17B10SPHK1USP2
SCHEMBL1349118 0.82 TSHR (0.55) TSHRTDP1HSD17B10
SCHEMBL27933246 0.81 USP2 (0.43) TSHRTDP1HSD17B10SPHK1USP2
SCHEMBL27131753 0.79 TDP1 (0.51) TSHRTDP1HSD17B10SPHK1USP2
SCHEMBL27933156 0.78 TSHR (0.44) TSHRTDP1HSD17B10
SCHEMBL23524651 0.77 TSHR (0.52) TSHRTDP1HSD17B10
SCHEMBL16237352 0.76 TSHR (0.46) TSHRTDP1HSD17B10
SCHEMBL6270834 0.74 HSD17B10 (0.56) TDP1HSD17B10SPHK1USP2HTT
SCHEMBL18393394 0.74 TDP1 (0.63) TDP1HSD17B10SPHK1USP2HTT
Acetic Acid SCHEMBL4451384 0.74 TSHR (0.44) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230167545-A1 STABILIZATION OF CARBON DEPOSITION PRECURSORS LIKE C2H2 LAM RESEARCH CORPORATION 2023-06-01 US disclosed
CN-114901433-A Polymer bonded abrasive article comprising a continuous polymer matrix and method of making the same 3M创新有限公司 2022-08-12 CN disclosed
CN-113286560-A Orthodontic articles and methods of making and post-treating the same 3M创新有限公司 2021-08-20 CN disclosed
CN-111315833-A Aqueous polymer composition 索尔维特殊聚合物意大利有限公司 2020-06-19 CN disclosed
US-20160089920-A1 THERMOCHROMIC INK COMPOSITION FASVER (FR) 2016-03-31 US disclosed
CN-105451783-A Fragrance composition RECKITT BENCKISER BRANDS LTD 2016-03-30 CN disclosed