SCHEMBL19209527

SCHEMBL19209527

C=C(C)C(=O)OC(C)(N)C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
DGAT1 O75907 1/20 0.38
TDP1 Q9NUW8 1/20 0.32
TSHR P16473 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
SCHEMBL9578354 0.81 ALDH1A1 (0.42) ALDH1A1TDP1TSHR
SCHEMBL33412 0.80 ALDH1A1 (0.50) ALDH1A1DGAT1TDP1TSHR
SCHEMBL28298942 0.80 ALDH1A1 (0.50) ALDH1A1DGAT1TDP1TSHR
Methane SCHEMBL28207399 0.78 ALDH1A1 (0.48) ALDH1A1DGAT1TDP1TSHR
Ammonia Solution, Strong SCHEMBL1022660 0.78 ALDH1A1 (0.48) ALDH1A1DGAT1TDP1TSHR
Ethylene SCHEMBL16830236 0.78 ALDH1A1 (0.48) ALDH1A1DGAT1TDP1TSHR
SCHEMBL28184760 0.78 ALDH1A1 (0.48) ALDH1A1DGAT1TDP1TSHR
SCHEMBL28270676 0.78 ALDH1A1 (0.48) ALDH1A1DGAT1TDP1TSHR
SCHEMBL28064991 0.78 ALDH1A1 (0.48) ALDH1A1DGAT1TDP1TSHR
SCHEMBL2597657 0.76 ALDH1A1 (0.46) ALDH1A1TDP1TSHR

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-20190033303-A1 SENSOR FOR DETECTION OF A TARGET SPECIES AND METHOD OF FORMING THE SAME CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) 2019-01-31 US disclosed
WO-2017134461-A1 A SENSOR FOR DETECTION OF A TARGET SPECIES AND METHOD OF FORMING THE SAME CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) 2017-08-10 WO disclosed