Nitromethane

Nitromethane

SCHEMBL3273015

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

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 3/20 0.35
TSHR P16473 2/20 0.35
CA1 P00915 2/20 0.33
GAA P10253 1/20 0.33
TP53 P04637 1/20 0.33
CA5A P35218 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
NFKB1 P19838 1/20 0.32
THPO P40225 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MAPT P10636 1/20 0.32
APEX1 P27695 1/20 0.32
PMP22 Q01453 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
MAPK1 P28482 1/20 0.31
CA4 P22748 1/20 0.30

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
Acetone SCHEMBL22579069 0.79 LMNA (0.50) HTTKMT2AALDH1A1TSHRCA1
Acetone SCHEMBL4838152 0.79
SCHEMBL30581182 0.79
SCHEMBL30581185 0.79
SCHEMBL2415 0.79
SCHEMBL1925147 0.79 ALDH1A1 (0.50) ALDH1A1TSHRCA1NFKB1THPO
SCHEMBL4820393 0.79
SCHEMBL1190178 0.79
SCHEMBL1332099 0.79
SCHEMBL14638233 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7816459-B2 Method for preparing polyolefins containing vinylidine end groups using polymeric nitrogen compounds CHEVRON ORONITE COMPANY LLC (US) 2010-10-19 US disclosed
EP-1803751-B1 Method for preparing polyolefins containing vinylidene end groups using polymeric nitrogen compounds CHEVRON ORONITE CO (US) 2010-06-30 EP disclosed
US-20070155910-A1 Method for preparing polyolefins containing vinylidine end groups using polymeric nitrogen compounds CHEVRON ORONITE COMPANY LLC 2007-07-05 US disclosed
EP-1803751-A1 Method for preparing polyolefins containing vinylidene end groups using polymeric nitrogen compounds Chevron Oronite Company LLC (US) 2007-07-04 EP disclosed
US-4769430-A Polypyrrole thiophene RESEARCH DEV. CORP. (JP) 1988-09-06 US disclosed