SCHEMBL9239171

SCHEMBL9239171

C=C(CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)OC

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
F2 P00734 2/20 0.33
PRSS1 P07477 2/20 0.33
PRSS2 P07478 2/20 0.33
PRSS3 P35030 2/20 0.33
THRB P10828 1/20 0.32
TET2 Q6N021 1/20 0.31
MAPT P10636 1/20 0.30
CA2 P00918 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
SCHEMBL424210 1.00 ALDH1A1 (0.34) ALDH1A1F2PRSS1PRSS2PRSS3
SCHEMBL28308452 0.85 ALDH1A1 (0.39) ALDH1A1TET2MAPT
SCHEMBL28039689 0.84 ALDH1A1 (0.33) ALDH1A1F2PRSS1PRSS2PRSS3
SCHEMBL2953062 0.84 ALDH1A1 (0.41) ALDH1A1THRBMAPT
SCHEMBL9718578 0.83 ALDH1A1 (0.37) ALDH1A1THRBMAPT
SCHEMBL9718598 0.83 ALDH1A1 (0.37) ALDH1A1THRBMAPT
SCHEMBL9718551 0.83 ALDH1A1 (0.37) ALDH1A1THRBMAPT
SCHEMBL10487823 0.83 ALDH1A1 (0.37) ALDH1A1THRBMAPT
SCHEMBL483547 0.83 ALDH1A1 (0.37) ALDH1A1THRBMAPT
SCHEMBL9718586 0.83 ALDH1A1 (0.37) ALDH1A1THRBMAPT

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
EP-0424099-B1 Method of Preparing Polymeric Compositions for Oxygen Permeable Contact Lenses POLYMER TECHNOLOGY CORP (US) 1995-10-04 EP disclosed
US-5346978-A Polymeric compositions useful in oxygen permeable contact lenses POLYMER TECHNOLOGY CORPORATION (US) 1994-09-13 US disclosed
US-5177168-A Copolymer of an unsaturated carboxylic acid ester POLYMER TECHNOLOGY CORP. (US) 1993-01-05 US disclosed
US-5032658-A Hardness, unsaturated ester POLYMER TECHNOLOGY CORPORATION (US) 1991-07-16 US disclosed
EP-0424099-A2 Method of Preparing Polymeric Compositions for Oxygen Permeable Contact Lenses POLYMER TECHNOLOGY CORPORATION (US) 1991-04-24 EP disclosed
US-3950315-A CONTACT LENS HAVING AN OPTIMUM COMBINATION OF PROPERTIES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-04-13 US disclosed