SCHEMBL4401561

SCHEMBL4401561

O=Cc1ccc2c(c1)C1CC2C2C3C=CC(C3)C12

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 2/20 0.32
PTGS2 P35354 1/20 0.32
RAB9A P51151 1/20 0.32
CYP2A6 P11509 1/20 0.32
ALDH3A1 P30838 1/20 0.30
ALDH1A3 P47895 1/20 0.30
TSHR P16473 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
SCHEMBL4408077 0.91
SCHEMBL4401579 0.86 CYP2A6 (0.36) ALDH1A1HSD17B10TDP1KDM4EPTGS2
SCHEMBL4745713 0.81 CYP2A6 (0.33) CYP2A6
SCHEMBL4441288 0.80 CYP2A6 (0.32) CYP2A6
SCHEMBL4402544 0.78 CYP2A6 (0.33) CYP2A6
SCHEMBL4743755 0.77 CYP2A6 (0.32) CYP2A6
SCHEMBL4438927 0.74 CYP2A6 (0.30) CYP2A6
SCHEMBL4448548 0.73
SCHEMBL4405523 0.71 MEN1 (0.32) TDP1
SCHEMBL4401558 0.69 ALDH1A1 (0.38) ALDH1A1HSD17B10TDP1KDM4EPTGS2

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
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
EP-2447775-A1 Resist underlayer film composition and patterning process using the same Shin-Etsu Chemical Co., Ltd. (JP) 2012-05-02 EP disclosed