SCHEMBL7787968

SCHEMBL7787968

C=Cc1ccc(CC(OC(Cc2ccc(C=C)cc2)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F)cc1

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
ESR1 P03372 1/20 0.36
ESR2 Q92731 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
SCHEMBL2773245 0.90 ALDH1A1 (0.34) ALDH1A1ESR1ESR2
SCHEMBL2772308 0.86 ALDH1A1 (0.39) ALDH1A1ESR1ESR2
SCHEMBL2773876 0.73 ALDH1A1 (0.37) ALDH1A1
SCHEMBL8196547 0.72 ALDH1A1 (0.35) ALDH1A1
SCHEMBL6865548 0.72 ALDH1A1 (0.35) ALDH1A1ESR1ESR2
SCHEMBL2771988 0.71 ALDH1A1 (0.31) ALDH1A1
SCHEMBL7783040 0.70 ALDH1A1 (0.31) ALDH1A1
SCHEMBL4557206 0.69 ALDH1A1 (0.44) ALDH1A1
SCHEMBL5197835 0.69 ALDH1A1 (0.44) ALDH1A1
SCHEMBL28394954 0.68 ALDH1A1 (0.42) ALDH1A1

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
EP-0890636-B1 Culture vessel MENICON CO LTD (JP) 2001-10-31 EP disclosed
US-6018001-A ACID TREATMENT OF A CONTACT LENS WHICH IS A COPOLYMER OF ASUGAR KETAL-CONTAINING (METH)ACRYLATE AND A SUGAR GLYCEROL KETAL-CONTAINING (METH)ACRYLATE AND A CO-MONOMER CONTAINING SILICON AND FLUORINE-MONOMER; OXYGEN PERMEABILITY MENICON CO., LTD. (JP) 2000-01-25 US disclosed
EP-0892297-A1 PROCESS FOR PRODUCING CONTACT LENS WITH HYDROPHILIC SURFACE AND CONTACT LENS OBTAINED THEREBY MENICON CO., LTD. (JP) 1999-01-20 EP disclosed
EP-0890636-A1 Culture vessel Menicon Co., Ltd. (JP) 1999-01-13 EP disclosed