Nonacosane

Nonacosane

SCHEMBL28201695

C1=CC=CNC=C1.CCCCCCCCCCCCCCCCCCCCCCCCCCCCC

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.47
THRB P10828 1/20 0.47
DNM1 Q05193 7/20 0.36
ALDH1A1 P00352 3/20 0.36
LMNA P02545 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HSD17B10 Q99714 1/20 0.36
SLC22A1 O15245 1/20 0.36
EPHX1 P07099 1/20 0.36

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
Nonane SCHEMBL28044830 1.00 TSHR (0.47) TSHRTHRBDNM1ALDH1A1LMNA
SCHEMBL28145338 1.00 TSHR (0.47) TSHRTHRBDNM1ALDH1A1LMNA
Pentadecane SCHEMBL28134975 1.00 TSHR (0.47) TSHRTHRBDNM1ALDH1A1LMNA
SCHEMBL28134147 1.00 TSHR (0.47) TSHRTHRBDNM1ALDH1A1LMNA
Tridecane SCHEMBL28134974 1.00 TSHR (0.47) TSHRTHRBDNM1ALDH1A1LMNA
Decane SCHEMBL27285858 1.00 TSHR (0.47) TSHRTHRBDNM1ALDH1A1LMNA
SCHEMBL28246815 1.00 TSHR (0.47) TSHRTHRBDNM1ALDH1A1LMNA
SCHEMBL28132819 1.00 TSHR (0.47) TSHRTHRBDNM1ALDH1A1LMNA
SCHEMBL27706945 1.00 TSHR (0.47) TSHRTHRBDNM1ALDH1A1LMNA
Undecane SCHEMBL27485945 1.00 TSHR (0.47) TSHRTHRBDNM1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107635586-A The antibody drug conjugate (ADC) of KSP inhibitor and not glycosyafated anti-TWEAKR antibody 拜耳医药股份有限公司 2018-01-26 CN claimed