SCHEMBL17695754

SCHEMBL17695754

N[C@@H]1C=CC=C[C@H]1C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ABAT P80404 1/20 0.31
GABRR1 P24046 1/20 0.31
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL17686901 1.00 ABAT (0.31) ABATGABRR1TSHRMAPK1HSD17B10
SCHEMBL156544 0.80 POLB (0.36) TDP1
SCHEMBL11579330 0.80 POLB (0.36) TDP1
SCHEMBL10068259 0.79 TSHR (0.30) TSHRMAPK1HSD17B10TDP1
Ammonia Solution, Strong SCHEMBL29216790 0.77 POLB (0.35) TDP1
Water SCHEMBL27554144 0.77 POLB (0.35) TDP1
SCHEMBL9695864 0.77 POLB (0.35) TDP1
Ammonia Solution, Strong SCHEMBL29216789 0.77 POLB (0.35) TDP1
SCHEMBL16247862 0.72
SCHEMBL14803894 0.70 POLB (0.31) TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3207374-B1 METHOD AND SYSTEM FOR DETERMINING THE CONCENTRATION OF AN ANALYTE IN A FLUID SAMPLE LABCYTE INC (US) 2021-05-12 EP disclosed
US-9939352-B2 Method and system for determining the concentration of an analyte in a fluid sample LABCYTE, INC. (US) 2018-04-10 US disclosed
WO-2016061592-A1 METHOD AND SYSTEM FOR DETERMINING THE CONCENTRATION OF AN ANALYTE IN A FLUID SAMPLE LABCYTE INC. (US) 2016-04-21 WO disclosed