SCHEMBL9306141

SCHEMBL9306141

C=CCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA1 P00915 8/20 0.42
CA2 P00918 8/20 0.42
THRB P10828 1/20 0.42
MAPT P10636 2/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
STS P08842 1/20 0.38
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL6663599 1.00 CA1 (0.42) CA1CA2THRBMAPTTSHR
SCHEMBL29067006 0.92 TSHR (0.41) CA1CA2MAPTTSHRSMN1; SMN2
SCHEMBL236402 0.76 ALDH1A1 (0.50) CA2MAPTTSHRSMN1; SMN2KMT2A
Hydrochloric Acid SCHEMBL28150561 0.75 THRB (0.59) CA1CA2THRBGAA
Acrylic Acid SCHEMBL28963868 0.75 ALDH1A1 (0.50) CA1CA2THRBMAPTSMN1; SMN2
SCHEMBL30489949 0.75 THRB (0.46) CA1CA2THRBMAPTSTS
SCHEMBL17193146 0.75 THRB (0.46) CA1CA2THRBMAPTGAA
SCHEMBL30489953 0.75 THRB (0.46) CA1CA2THRBMAPTSTS
SCHEMBL28087284 0.75 THRB (0.46) CA1CA2THRBMAPTSTS
SCHEMBL17193148 0.74 CA2 (0.40) CA2THRBMAPTTSHRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1994022595-A1 FLUOROSILICONE COMPOSITIONS AS WASH DURABLE SOIL AND STAIN REPELLENT FINISHES OSI SPECIALTIES, INC. (US) 1994-10-13 WO disclosed
US-5348769-A For cotton fabrics, polysiloxanes OSI SPECIALTIES, INC. (US) 1994-09-20 US disclosed