SCHEMBL7031297

SCHEMBL7031297

OC(=Cc1ccccc1)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
TSHR P16473 3/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C1 Q04828 1/20 0.40
ESR1 P03372 1/20 0.40
CES1 P23141 1/20 0.39
FBP1 P09467 3/20 0.38
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
PRMT1 Q99873 1/20 0.36
MAOB P27338 1/20 0.36
CYP2A6 P11509 1/20 0.36
NFE2L2 Q16236 1/20 0.36

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
SCHEMBL453533 0.80 ALDH1A1 (0.41) ALDH1A1TSHRAKR1C3AKR1C1ESR1
SCHEMBL17836918 0.78 ALDH1A1 (0.45) ALDH1A1TSHRAKR1C3AKR1C1ESR1
SCHEMBL31464217 0.78 ALDH1A1 (0.40) ALDH1A1TSHRAKR1C3AKR1C1ESR1
SCHEMBL17836916 0.78 ALDH1A1 (0.45) ALDH1A1TSHRAKR1C3AKR1C1ESR1
SCHEMBL10416172 0.76 FBP1 (0.44) ALDH1A1TSHRAKR1C3AKR1C1ESR1
SCHEMBL9227444 0.76 ALDH1A1 (0.48) ALDH1A1TSHRAKR1C3AKR1C1ESR1
SCHEMBL9227437 0.76 ALDH1A1 (0.48) ALDH1A1TSHRAKR1C3AKR1C1ESR1
SCHEMBL10416173 0.76 FBP1 (0.44) ALDH1A1TSHRAKR1C3AKR1C1ESR1
SCHEMBL31195612 0.76 ALDH1A1 (0.39) ALDH1A1TSHRAKR1C3AKR1C1ESR1
SCHEMBL12593472 0.75 ALDH1A1 (0.46) ALDH1A1TSHRAKR1C3AKR1C1ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002023274-A9 PHOTORESIST COMPOSITION SHIPLEY CO LLC (US) 2003-11-13 WO disclosed
US-6645695-B2 Crosslinked polymeric particles and a photoactive component, wherein the polymeric particles comprise cleavable group(s); free of surfactant; forming relief images SHIPLEY COMPANY, L.L.C. 2003-11-11 US disclosed
US-20020051928-A1 Photoresist composition SHIPLEY COMPANY, L.L.C. (US) 2002-05-02 US disclosed
WO-2002023274-A2 PHOTORESIST COMPOSITION SHIPLEY COMPANY, L.L.C. (US) 2002-03-21 WO disclosed