SCHEMBL17829484

SCHEMBL17829484

C=Cc1ccc(OCC(F)(F)CC(F)(F)CNCC(C)(F)F)cc1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA7 P36544 1/20 0.37
CHRNA4 P43681 1/20 0.37

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
SCHEMBL17829486 0.89 CHRNB2 (0.35) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL17829482 0.86 CHRNB2 (0.44) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL2998505 0.71 CHRNB2 (0.46) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL887953 0.71 CHRNA7 (0.50) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL24383545 0.70 CHRNB2 (0.43) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL15114288 0.68 ALDH1A1 (0.37)
SCHEMBL17829488 0.68 ALDH1A1 (0.33)
SCHEMBL17829485 0.68 ELANE (0.39)
SCHEMBL6287454 0.67 CHRNA7 (0.50) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL18561113 0.67 CHRNB2 (0.42) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4

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
US-20170226250-A1 POLYMER, RESIST COMPOSITION, AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-08-10 US disclosed
US-20170097567-A1 METHOD FOR PRODUCING POLYMER SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-04-06 US disclosed
US-20160229940-A1 POLYMER, RESIST COMPOSITION, AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-08-11 US disclosed
US-20160168296-A1 POLYMER, RESIST COMPOSITION, AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-06-16 US disclosed