Acetonitrile

Acetonitrile

SCHEMBL2291653

CC#N.CC(C)(C)c1ccncc1

nearest known ligand 0.58

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.58
LMNA P02545 7/20 0.41
MAPT P10636 5/20 0.41
RAB9A P51151 3/20 0.41
TSHR P16473 3/20 0.41
HPGD P15428 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
NPC1 O15118 2/20 0.41
HTT P42858 2/20 0.41
TP53 P04637 1/20 0.41
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 4/20 0.38
MAPK1 P28482 3/20 0.38
USP2 O75604 1/20 0.38
GAA P10253 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
TYR P14679 1/20 0.37
DHODH Q02127 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL820736 0.87 KIF11 (0.71) KIF11LMNAMAPTRAB9ATSHR
SCHEMBL65312 0.87 KIF11 (0.71) KIF11LMNAMAPTRAB9ATSHR
Lithium SCHEMBL29576172 0.85 KIF11 (0.68) KIF11LMNAMAPTRAB9ATSHR
Ethane SCHEMBL3064994 0.85 KIF11 (0.68) KIF11LMNAMAPTRAB9ATSHR
SCHEMBL27528935 0.85 KIF11 (0.68) KIF11LMNAMAPTRAB9ATSHR
SCHEMBL28443995 0.85 KIF11 (0.68) KIF11LMNAMAPTRAB9ATSHR
Hydrochloric Acid SCHEMBL15140525 0.85 KIF11 (0.68) KIF11LMNAMAPTRAB9ATSHR
SCHEMBL29245411 0.85 KIF11 (0.68) KIF11LMNAMAPTRAB9ATSHR
SCHEMBL20137330 0.85 KIF11 (0.68) KIF11LMNAMAPTRAB9ATSHR
SCHEMBL16694367 0.80 KIF11 (0.86) KIF11LMNAMAPTRAB9ATSHR

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-105321721-B A kind of preparation method of dye-sensitized solar cell anode material 常州大学 2018-02-09 CN disclosed
CN-103871746-B A kind of sensitization solar battery based on different shape nanogold 常州大学 2017-07-14 CN disclosed
US-7994422-B2 exhibiting improved electron-transferring properties, comprising an electrolyte layer arranged between a reduction electrode and a semiconductor electrode structure having carbon nanotubes arranged within pores of metal oxide semiconductor particles SAMSUNG SDI CO., LTD. (KR) 2011-08-09 US disclosed
US-20050166960-A1 Photoelectrochemical cell SAMSUNG SDI CO., LTD. (KR) 2005-08-04 US disclosed