SCHEMBL17829486

SCHEMBL17829486

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

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA7 P36544 1/20 0.35
CHRNA4 P43681 1/20 0.35
ALDH1A1 P00352 2/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL17829484 0.89 CHRNB2 (0.37) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL17829482 0.79 CHRNB2 (0.44) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL17829488 0.78 ALDH1A1 (0.33) ALDH1A1
SCHEMBL2998505 0.77 CHRNB2 (0.46) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL17829485 0.75 ELANE (0.39) ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL18561113 0.69 CHRNB2 (0.42) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL9823871 0.68 HTT (0.44) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL18351156 0.67 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2
SCHEMBL887953 0.67 CHRNA7 (0.50) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL14341692 0.67 CHRNA7 (0.46) 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