SCHEMBL2246325

SCHEMBL2246325

C=C(C)C(=O)OCCC[Si](CCC)(OCCCC)OCCCC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.58
THRB P10828 1/20 0.44
ALDH1A1 P00352 2/20 0.42
TDP1 Q9NUW8 2/20 0.40
POLB P06746 1/20 0.40
APEX1 P27695 1/20 0.40
HTT P42858 1/20 0.40
HPGD P15428 1/20 0.38
ATM Q13315 1/20 0.36
LMNA P02545 1/20 0.33
ESR1 P03372 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C19 P33261 1/20 0.33
NR1H2 P55055 1/20 0.33
RNASEL Q05823 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
ACHE P22303 6/20 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
SCHEMBL8900512 0.97 TSHR (0.62) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL2246408 0.92 TSHR (0.56) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL1269736 0.91 TSHR (0.58) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL1269949 0.89 TSHR (0.56) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL8899379 0.89 TSHR (0.59) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL19125098 0.86 TSHR (0.60) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL16537891 0.85 TSHR (0.58) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL72364 0.84 TSHR (0.62) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL8924216 0.84 TSHR (0.62) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL1270108 0.84 TSHR (0.57) TSHRTHRBALDH1A1TDP1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150191607-A1 Anti-fouling Paints and Coatings REACTIVE SURFACES, LTD (US) 2015-07-09 US disclosed
US-7994250-B2 Vinyl-urethane copolymers with intermediary linkage segments having silicon-oxygen bonds and production methods thereof KONISHI CO., LTD. (JP) 2011-08-09 US disclosed
US-20100210745-A1 Molecular Healing of Polymeric Materials, Coatings, Plastics, Elastomers, Composites, Laminates, Adhesives, and Sealants by Active Enzymes REACTIVE SURFACES, LTD. (US) 2010-08-19 US disclosed
US-20090326151-A1 HAIR COSMETIC KONISHI CO., LTD. (JP) 2009-12-31 US disclosed
EP-2039347-A1 COSMETIC HAIR PREPARATION Shiseido Company, Limited (JP) 2009-03-25 EP disclosed
EP-1837360-A1 VINYL-URETHANE COPOLYMER AND METHOD FOR PRODUCING SAME Konishi Co., Ltd. (JP) 2007-09-26 EP disclosed
US-20070117902-A1 Vinyl-urethane copolymers and production methods thereof KONISHI CO., LTD. (JP) 2007-05-24 US disclosed
US-4026826-A ALKOXYSILANES JAPAN ATOMIC ENERGY RESEARCH INSTITUTE (JA) 1977-05-31 US disclosed