SCHEMBL9808658

SCHEMBL9808658

C=C(C)C(=O)OCCCC=C[SiH](C)C

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.50
THRB P10828 1/20 0.47
ALDH1A1 P00352 3/20 0.43
POLB P06746 1/20 0.42
APEX1 P27695 1/20 0.42
HTT P42858 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MAPT P10636 1/20 0.33
FAAH O00519 2/20 0.31
HPGD P15428 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
SCHEMBL9808747 0.91 THRB (0.54) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL11253525 0.83 TSHR (0.50) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL457007 0.81 TSHR (0.55) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL15062349 0.79 TSHR (0.58) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL2641114 0.79 THRB (0.55) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL19082571 0.79 TSHR (0.42) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL23754643 0.78 TSHR (0.60) TSHRTHRBALDH1A1POLBAPEX1
Bicarbonate SCHEMBL27518161 0.78 TSHR (0.51) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL28570840 0.78 TSHR (0.51) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL9808752 0.78 TSHR (0.55) TSHRTHRBALDH1A1MAPTHPGD

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-5077362-A Thin film coatings SHIN-ETSU CHEMICAL CO., LTD. (JP) 1991-12-31 US claimed
EP-0390078-A1 Vinylidene fluoride copolymer and process for producing the same SHIN-ETSU CHEMICAL CO., LTD. (JP) 1990-10-03 EP claimed
JP-2252714-A None JP disclosed
US-5077362-A Thin film coatings SHIN-ETSU CHEMICAL CO., LTD. (JP) 1991-12-31 US disclosed
JP-H02252714-A PRODUCTION OF VINYLIDENE FLUORIDE COPOLYMER SHIN ETSU CHEM CO LTD 1990-10-11 JP disclosed
EP-0390078-A1 Vinylidene fluoride copolymer and process for producing the same SHIN-ETSU CHEMICAL CO., LTD. (JP) 1990-10-03 EP disclosed