SCHEMBL6903867

SCHEMBL6903867

C=CC(=O)OOC(=O)C(=C)CC(C)O

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.40
HPGD P15428 1/20 0.32
ALDH1A1 P00352 3/20 0.31
TP53 P04637 2/20 0.31
HIF1A Q16665 2/20 0.31
CYP3A4 P08684 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
Methacrylic Acid SCHEMBL27791461 0.92 TSHR (0.35) TSHR
SCHEMBL6903865 0.84 TSHR (0.41) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL27866630 0.79 TSHR (0.48) TSHRHPGDALDH1A1TP53HIF1A
Phosphoric Acid SCHEMBL27404868 0.78 TSHR (0.37) TSHR
SCHEMBL20840134 0.77 TSHR (0.39) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL14110086 0.77 TSHR (0.55) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL27723194 0.76 TSHR (0.35) TSHR
SCHEMBL27793471 0.74 TSHR (0.41) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL3379752 0.73 TSHR (0.45) TSHRHSD17B10
SCHEMBL6891698 0.72 ALDH1A1 (0.42) TSHRALDH1A1

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
EP-0944653-A4 POLYMERIC COUPLING AGENTS FOR THE ADHESION OF MACROMOLECULAR MATERIALS AND METAL SUBSTRATES VERNAY LABORATORIES (US) 2004-10-13 EP disclosed
EP-0944653-A1 POLYMERIC COUPLING AGENTS FOR THE ADHESION OF MACROMOLECULAR MATERIALS AND METAL SUBSTRATES VERNAY LABORATORIES, INC. (US) 1999-09-29 EP disclosed
US-5882799-A COUPLING AGENTS WHICH INCORPORATE WITHIN THEIR STRUCTURES CO-VULCANIZABLE GROUPS SUCH AS ALKENYL, EPOXIDE, ACRYLATE AND/OR ACRYLAMIDE, AND METAL-COMPLEXING GROUPS SUCH AS CARBOXYLIC, OXIME, AMINE, HYDROXAMIC AND/OR IMINODIACETIC VERNAY LABORATORIES, INC. (US) 1999-03-16 US disclosed
WO-1998027120-A1 POLYMERIC COUPLING AGENTS FOR THE ADHESION OF MACROMOLECULAR MATERIALS AND METAL SUBSTRATES VERNAY LABORATORIES, INC. (US) 1998-06-25 WO disclosed