SCHEMBL2237451

SCHEMBL2237451

C=C(C)C(=O)OCC[Si](C)(OCCCC)OCCCC

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.57
THRB P10828 1/20 0.46
ALDH1A1 P00352 3/20 0.40
POLB P06746 1/20 0.38
APEX1 P27695 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HPGD P15428 1/20 0.36
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
ACHE P22303 6/20 0.33
HCAR2 Q8TDS4 1/20 0.31

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
SCHEMBL140538 0.92 TSHR (0.60) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL2246405 0.90 TSHR (0.51) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL7710883 0.88 TSHR (0.55) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL2239148 0.85 TSHR (0.59) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL5699018 0.85 TSHR (0.54) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL65280 0.85 THRB (0.55) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL1070990 0.84 TSHR (0.57) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL8899367 0.83 TSHR (0.60) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL11765241 0.83 TSHR (0.56) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL3503924 0.83 TSHR (0.60) TSHRTHRBALDH1A1POLBAPEX1

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-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-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