SCHEMBL4401579

SCHEMBL4401579

O=Cc1ccc2cc3c(cc2c1)C1CC3C2C3C=CC(C3)C12

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 6/20 0.36
ALDH1A1 P00352 3/20 0.31
KDM4E B2RXH2 2/20 0.31
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
PTGS2 P35354 1/20 0.30
RAB9A P51151 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
SCHEMBL4402544 0.92 CYP2A6 (0.33) CYP2A6
SCHEMBL4743755 0.90 CYP2A6 (0.32) CYP2A6
SCHEMBL4401561 0.86 ALDH1A1 (0.33) CYP2A6ALDH1A1KDM4EHSD17B10TDP1
SCHEMBL4441288 0.82 CYP2A6 (0.32) CYP2A6
SCHEMBL4745713 0.80 CYP2A6 (0.33) CYP2A6
SCHEMBL4408077 0.78
SCHEMBL4401577 0.76 CYP2A6 (0.41) CYP2A6ALDH1A1KDM4EHSD17B10TDP1
SCHEMBL4448548 0.75
SCHEMBL4438927 0.73 CYP2A6 (0.30) CYP2A6
SCHEMBL30972495 0.70 CYP2A6 (0.50) CYP2A6ALDH1A1KDM4EHSD17B10TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8877422-B2 Resist underlayer film composition and patterning process using the same SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-11-04 US disclosed
US-8877422-B2 Resist underlayer film composition and patterning process using the same SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-11-04 US disclosed
EP-2447775-B1 Resist underlayer film composition and patterning process using the same SHINETSU CHEMICAL CO (JP) 2013-05-29 EP disclosed
US-20120108071-A1 RESIST UNDERLAYER FILM COMPOSITION AND PATTERNING PROCESS USING THE SAME SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-05-03 US disclosed
US-20120108071-A1 RESIST UNDERLAYER FILM COMPOSITION AND PATTERNING PROCESS USING THE SAME SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-05-03 US disclosed