SCHEMBL9711340

SCHEMBL9711340

C=CC(=O)OC1CCC(F)CC1

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.31
TSHR P16473 4/20 0.30
ALDH1A1 P00352 3/20 0.30
TP53 P04637 2/20 0.30
HIF1A Q16665 2/20 0.30
CYP3A4 P08684 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL34965 0.89
SCHEMBL321481 0.89 TSHR (0.36) EPHX1TSHRALDH1A1TP53HIF1A
Potassium SCHEMBL31173511 0.87
SCHEMBL2459248 0.83 TSHR (0.30) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL10716820 0.83 EPHX1 (0.41) EPHX1TSHRALDH1A1TP53HIF1A
SCHEMBL25894185 0.83 EPHX1 (0.36) EPHX1TSHRALDH1A1TP53HIF1A
SCHEMBL17746687 0.83 EPHX1 (0.36) EPHX1TSHRALDH1A1TP53HIF1A
SCHEMBL9979753 0.83 TSHR (0.32) TSHRALDH1A1TP53HIF1ACYP3A4
Vinyl Chloride SCHEMBL1396712 0.83 TSHR (0.32) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL27695948 0.83 TSHR (0.32) TSHRALDH1A1TP53HIF1ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220214619-A1 PHOTORESIST TOPCOAT COMPOSITIONS AND PATTERN FORMATION METHODS DUPONT ELECTRONIC MATERIALS INTERNATIONAL, LLC 2022-07-07 US disclosed
WO-1992018548-A1 NOVEL COMPOSITION FOR CONTACT LENSES OPTICAL RESEARCH, INC. (US) 1992-10-29 WO disclosed