SCHEMBL27809593

SCHEMBL27809593

C=CC(C)(C)CC.CCCCCCl

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.50
ALDH1A1 P00352 2/20 0.50
TDP1 Q9NUW8 1/20 0.42
PLA2G1B P04054 1/20 0.30
HSP90AA1 P07900 1/20 0.30
RAD52 P43351 1/20 0.30
ATG4B Q9Y4P1 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
SCHEMBL182083 0.78
Propene SCHEMBL25422704 0.76
Vinyl Chloride SCHEMBL28093461 0.76
Butadiene SCHEMBL28906738 0.76 TSHR (0.67) TSHRALDH1A1TDP1PLA2G1BHSP90AA1
Chloromethane SCHEMBL27787817 0.75
SCHEMBL27606662 0.74 TSHR (0.63) TSHRALDH1A1TDP1PLA2G1BHSP90AA1
Vinyl Chloride SCHEMBL28112878 0.74 TSHR (0.63) TSHRALDH1A1TDP1PLA2G1BHSP90AA1
SCHEMBL27601352 0.74 TSHR (0.63) TSHRALDH1A1TDP1PLA2G1BHSP90AA1
Butadiene SCHEMBL382147 0.74 TSHR (0.72) TSHRALDH1A1TDP1PLA2G1BHSP90AA1
Propene SCHEMBL27519913 0.74 TSHR (0.63) TSHRALDH1A1TDP1PLA2G1BHSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102471384-B Cellulose derivative, resin composition, molded body, method for producing molded body, and housing for electric and electronic devices FUJIFILM CORP 2015-06-17 CN disclosed
CN-102471539-B Cellulose derivative, thermoformed material, molded body, production method therefor, and casing for electrical and electronic equipment FUJIFILM CORP 2015-04-08 CN disclosed
CN-102076718-B Cellulose derivative and process for production thereof, cellulose resin composition, molded article and method for production thereof, and housing for electrochemical device FUJIFILM CORP 2013-10-23 CN disclosed
CN-102471384-A Cellulose derivative, resin composition, molded body, method for producing molded body, and housing for electric and electronic devices FUJIFILM CORP 2012-05-23 CN disclosed
CN-102076718-A Cellulose derivative and process for production thereof, cellulose resin composition, molded article and method for production thereof, and housing for electrochemical device FUJIFILM CORP 2011-05-25 CN disclosed