SCHEMBL5658340

SCHEMBL5658340

Cc1cccc(O)c1C.[Fe]

nearest known ligand 0.94

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.94
ATM Q13315 2/20 0.94
ALDH1A1 P00352 5/20 0.52
HSD17B10 Q99714 5/20 0.46
MAPT P10636 3/20 0.46
TP53 P04637 2/20 0.46
GAA P10253 2/20 0.46
MAPK1 P28482 2/20 0.46
GABRA1 P14867 1/20 0.44
GABRB2 P47870 1/20 0.44
LMNA P02545 4/20 0.44
TSHR P16473 4/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
HTT P42858 2/20 0.44
TDP1 Q9NUW8 4/20 0.43
CA2 P00918 3/20 0.43
HPGD P15428 3/20 0.43
EGFR P00533 2/20 0.43
FYN P06241 2/20 0.43

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
SCHEMBL29622820 0.97
SCHEMBL5940935 0.97 TRPA1 (1.00) TRPA1ATMALDH1A1HSD17B10MAPT
SCHEMBL3498 0.97
SCHEMBL11763667 0.94 TRPA1 (0.94) TRPA1ATMALDH1A1HSD17B10MAPT
Hydrochloric Acid SCHEMBL7070510 0.94 TRPA1 (0.94) TRPA1ATMALDH1A1HSD17B10MAPT
SCHEMBL11303423 0.94 TRPA1 (0.94) TRPA1ATMALDH1A1HSD17B10MAPT
Hydrogen Sulfide SCHEMBL11763650 0.94 TRPA1 (0.94) TRPA1ATMALDH1A1HSD17B10MAPT
Methyl Alcohol SCHEMBL6064777 0.94 TRPA1 (0.94) TRPA1ATMALDH1A1HSD17B10MAPT
Ammonia Solution, Strong SCHEMBL3744582 0.94 TRPA1 (0.94) TRPA1ATMALDH1A1HSD17B10MAPT
Phosphine SCHEMBL18662384 0.94 TRPA1 (0.94) TRPA1ATMALDH1A1HSD17B10MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1024900-A4 METHODS AND APPARATUS FOR DETERMINING ANALYTES IN VARIOUS MATRICES SAFETY ASSOCIATES INC (US) 2006-02-15 EP claimed
US-20040197235-A1 Methods and apparatus for determining analytes in various matrices SAFETY ASSOCIATES, INC. 2004-10-07 US claimed
US-20030064423-A1 Methods and apparatus for determining analytes in various matrices SAFETY ASSOCIATES, INC. 2003-04-03 US claimed
EP-1024900-A1 METHODS AND APPARATUS FOR DETERMINING ANALYTES IN VARIOUS MATRICES Safety Associates, Inc. (US) 2000-08-09 EP claimed
WO-1999020396-A1 METHODS AND APPARATUS FOR DETERMINING ANALYTES IN VARIOUS MATRICES SAFETY ASSOCIATES, INC. (US) 1999-04-29 WO claimed
CN-116637073-A Active oxygen active nitrogen responsive nano composite micelle, preparation method thereof and nano medicine carrying micelle 澳门大学 2023-08-25 CN disclosed
CN-107105695-A Marine lecithin formulations with enhanced antioxidant properties 恩兹莫特克有限公司 2017-08-29 CN disclosed