SCHEMBL11776563

SCHEMBL11776563

O=C(O)C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.39
ALDH1A1 P00352 4/20 0.39
TDP1 Q9NUW8 1/20 0.39
CA5A P35218 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
LMNA P02545 2/20 0.33
MEN1 O00255 1/20 0.33
BLM P54132 1/20 0.33
HBB P68871 1/20 0.33
KMT2A Q03164 1/20 0.33
HIF1A Q16665 1/20 0.33
TP53 P04637 1/20 0.32

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
SCHEMBL3512371 0.97 TSHR (0.37) TSHRALDH1A1TDP1CA5ACA5B
SCHEMBL11147400 0.97 TSHR (0.37) TSHRALDH1A1TDP1CA5ACA5B
Acetic Acid SCHEMBL10403178 0.91 FFAR3 (0.39) TSHRALDH1A1TDP1CA5ACA5B
Acetic Acid SCHEMBL10582973 0.89 FFAR3 (0.37) TSHRALDH1A1TDP1
SCHEMBL28195472 0.73 TSHR (0.39) TSHRALDH1A1TDP1CA5ACA5B
SCHEMBL3512370 0.71 TSHR (0.37) TSHRALDH1A1TDP1CA5ACA5B
SCHEMBL27604391 0.71 TSHR (0.37) TSHRALDH1A1TDP1CA5ACA5B
SCHEMBL1322897 0.71 TSHR (0.37) TSHRALDH1A1TDP1CA5ACA5B
SCHEMBL11147396 0.71 TSHR (0.37) TSHRALDH1A1TDP1CA5ACA5B
SCHEMBL7872758 0.69 ALDH1A1 (0.43) TSHRALDH1A1TDP1CA5ACA5B

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
CN-118910066-A Aptamer for detecting tumor marker AFP and lateral chromatography test strip 成都医学院第一附属医院 2024-11-08 CN disclosed
CN-117139919-A High-electric-conductivity heat-conductivity composite copper paste and preparation method and application thereof 北京工业大学 2023-12-01 CN disclosed
CN-104812480-A Hydrotreatment catalyst comprising a support obtained from an alumina gel and method for preparing the catalyst IFP Energies Nouvelles 2015-07-29 CN disclosed
US-3936303-A Photographic photosensitive element and developing method thereof FUJI PHOTO FILM CO., LTD. (JA) 1976-02-03 US disclosed