SCHEMBL28065307

SCHEMBL28065307

CCON(CC(C)O)CC(C)O

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KDM4E B2RXH2 1/20 0.31
THRB P10828 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL27448966 0.81 KMT2A (0.30)
SCHEMBL28232991 0.79 TSHR (0.38) TSHRHSD17B10TDP1THRBALDH1A1
Hydrochloric Acid SCHEMBL29012667 0.77 TSHR (0.36) TSHRHSD17B10TDP1
SCHEMBL2387215 0.77
Acetic Acid SCHEMBL22788478 0.75 MAPK1 (0.37) HSD17B10
SCHEMBL21203179 0.72 TSHR (0.35) TSHRTDP1ALDH1A1
SCHEMBL28075517 0.72 TSHR (0.32) TSHR
Isopropyl Alcohol SCHEMBL1408797 0.69 LMNA (0.38) TSHRHSD17B10TDP1ALDH1A1
Sulfuric Acid SCHEMBL6416267 0.69 TP53 (0.34)
SCHEMBL28001652 0.69 ALOX15 (0.33)

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-104302596-B Method for producing a hydraulic binder, corresponding additive and use thereof 建筑研究和技术有限公司 2017-02-01 CN claimed
CN-108348924-A Grinding additive for carbonaceous solids 建筑研究和技术有限公司 2018-07-31 CN disclosed
CN-104302596-B Method for producing a hydraulic binder, corresponding additive and use thereof 建筑研究和技术有限公司 2017-02-01 CN disclosed
CN-104271529-B Grinding additive for inorganic binder CONSTRUCTION RESEARCH & TECHNOLOGY GMBH (DE) 2016-05-11 CN disclosed