SCHEMBL28095167

SCHEMBL28095167

CCCCCCCCCCCCCCCCCC.CC[N+](C)(O)O

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.53
THRB P10828 1/20 0.53
DNM1 Q05193 11/20 0.52
HTT P42858 2/20 0.52
KMT2A Q03164 2/20 0.52
HSP90AA1 P07900 1/20 0.50
RAD52 P43351 1/20 0.50
LMNA P02545 2/20 0.47
ALDH1A1 P00352 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MEN1 O00255 1/20 0.47

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
Hexadecane SCHEMBL28095398 1.00 TSHR (0.53) TSHRTHRBDNM1HTTKMT2A
SCHEMBL283008 0.87 TSHR (0.65) TSHRTHRBDNM1HTTKMT2A
SCHEMBL10449863 0.87 DNM1 (0.42) TSHRTHRBDNM1HTTKMT2A
SCHEMBL27667575 0.81 DNM1 (0.60) TSHRDNM1HTTKMT2AALDH1A1
SCHEMBL27541257 0.81 DNM1 (0.60) TSHRDNM1HTTKMT2AALDH1A1
SCHEMBL14112416 0.81 DNM1 (0.60) TSHRDNM1HTTKMT2AALDH1A1
Ammonia Solution, Strong SCHEMBL28208732 0.78
Hydrochloric Acid SCHEMBL4474978 0.78
Decane SCHEMBL4005469 0.78 TSHR (0.89) TSHRTHRBDNM1HTTLMNA
Octane SCHEMBL3882561 0.78 TSHR (0.89) TSHRTHRBDNM1HTTLMNA

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-105907400-A Slow release oxidant adopting calcium peroxide as matrix and nanometer organic bentonite as coating film, and preparation method thereof 中国科学院亚热带农业生态研究所 2016-08-31 CN claimed
CN-105885859-A Slow-release oxidizing agent with calcium peroxide as matrix and nanometer organobentonite-paraffin as envelopes and preparation method 中国科学院亚热带农业生态研究所 2016-08-24 CN claimed
CN-105907400-A Slow release oxidant adopting calcium peroxide as matrix and nanometer organic bentonite as coating film, and preparation method thereof 中国科学院亚热带农业生态研究所 2016-08-31 CN disclosed
CN-105885859-A Slow-release oxidizing agent with calcium peroxide as matrix and nanometer organobentonite-paraffin as envelopes and preparation method 中国科学院亚热带农业生态研究所 2016-08-24 CN disclosed