SCHEMBL943450

SCHEMBL943450

C=Cc1ccc(OS(=O)(=O)C(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 2/20 0.42
CXCR2 P25025 2/20 0.41
STS P08842 1/20 0.40
CXCR1 P25024 1/20 0.40
CA2 P00918 3/20 0.39
CA1 P00915 2/20 0.39
CA9 Q16790 2/20 0.39
TSHR P16473 1/20 0.38
PPARG P37231 2/20 0.37
DRD2 P14416 1/20 0.36
DRD1 P21728 1/20 0.36
DRD4 P21917 1/20 0.36
DRD5 P21918 1/20 0.36
DRD3 P35462 1/20 0.36
KIF11 P52732 1/20 0.36
HTR1A P08908 2/20 0.35
HTR1D P28221 2/20 0.35
HTR1B P28222 2/20 0.35
HSD11B1 P28845 1/20 0.35

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
Hydrogen Sulfide SCHEMBL29027315 0.98 TDP1 (0.41) TDP1ALDH1A1CXCR2STSCXCR1
SCHEMBL6081250 0.90 CXCR2 (0.36) TDP1ALDH1A1CXCR2STSCXCR1
SCHEMBL576035 0.83 CA2 (0.50) CXCR2CXCR1CA2CA1CA9
SCHEMBL840975 0.82 STS (0.60) ALDH1A1CXCR2STSCXCR1CA2
SCHEMBL940747 0.82 PIK3CD (0.42) TDP1ALDH1A1STSCA2CA1
SCHEMBL31019590 0.81 PIK3CD (0.46) TDP1ALDH1A1STSCA2CA1
SCHEMBL683020 0.80 PIK3CD (0.36) TDP1ALDH1A1STSCA2CA1
SCHEMBL19140809 0.80 TDP1 (0.37) TDP1ALDH1A1CXCR2STSCXCR1
SCHEMBL375417 0.79 ALDH1A1 (0.50) TDP1ALDH1A1STSCA2CA1
SCHEMBL12586188 0.79 PPARG (0.41) TDP1ALDH1A1CA2CA1CA9

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
CN-116199599-A Method for preparing aryl nitrile compound 江苏师范大学 2023-06-02 CN disclosed
US-8840559-B2 Organic piezoelectric material, ultrasonic oscillator using the material, method for manufacturing the ultrasonic oscillator, ultrasonic probe, and ultrasonic medical diagnostic imaging device KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2014-09-23 US disclosed
US-20110021916-A1 ORGANIC PIEZOELECTRIC MATERIAL, ULTRASONIC OSCILLATOR USING THE MATERIAL, METHOD FOR MANUFACTURING THE ULTRASONIC OSCILLATOR, ULTRASONIC PROBE, AND ULTRASONIC MEDICAL DIAGNOSTIC IMAGING DEVICE KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2011-01-27 US disclosed
US-20110021918-A1 ORGANIC PIEZOELECTRIC MATERIAL FILM, METHOD FOR PRODUCTION OF ORGANIC PIEZOELECTRIC MATERIAL FILM, METHOD FOR PRODUCTION OF ULTRASONIC OSCILLATOR, AND ULTRASONIC MEDICAL IMAGING INSTRUMENT KONICA MINOLTA MEDICAL & GRAPHIC INC. (JP) 2011-01-27 US disclosed
US-20110021917-A1 ORGANIC PIEZOELECTRIC MATERIAL FILM, METHOD FOR PRODUCTION OF THE SAME, METHOD FOR PRODUCTION OF ULTRASONIC OSCILLATOR USING THE SAME, AND ULTRASONIC MEDICAL IMAGING INSTRUMENT KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2011-01-27 US disclosed
US-20110004102-A1 ORGANIC PIEZOELECTRIC MATERIAL, ULTRASONIC OSCILLATOR USING THE SAME, METHOD FOR PRODUCING THE ULTRASONIC OSCILLATOR, ULTRASONIC PROBE AND ULTRASONIC MEDICAL DIAGNOSTIC IMAGING DEVICE KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2011-01-06 US disclosed