Acetonitrile

Acetonitrile

SCHEMBL4389482

CC#N.CCOS(=O)(=O)O.CN1CCOCC1

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.37
SMN1; SMN2 Q16637 3/20 0.35
RECQL P46063 1/20 0.34
MAPK1 P28482 1/20 0.33
CA12 O43570 1/20 0.33
CA7 P43166 1/20 0.33
CA14 Q9ULX7 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
ALDH1A1 P00352 5/20 0.33
LMNA P02545 3/20 0.33
HPGD P15428 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.32
HSD17B10 Q99714 1/20 0.32
USP2 O75604 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
Acetonitrile SCHEMBL131712 0.83 CA12 (0.38) TSHRSMN1; SMN2CA12CA7CA14
Sulfuric Acid SCHEMBL7120564 0.83 CA12 (0.43) TSHRSMN1; SMN2CA12CA7CA14
Sulfuric Acid SCHEMBL2374802 0.83 CA12 (0.43) TSHRSMN1; SMN2CA12CA7CA14
Sulfuric Acid SCHEMBL27834913 0.80 CA12 (0.40) TSHRSMN1; SMN2CA12CA7CA14
Sulfuric Acid SCHEMBL14740092 0.78 CA12 (0.39) TSHRSMN1; SMN2CA12CA7CA14
SCHEMBL11204885 0.78 TSHR (0.42) TSHRSMN1; SMN2RECQLMAPK1CA12
SCHEMBL4429080 0.77 TSHR (0.41) TSHRSMN1; SMN2RECQLGAAALDH1A1
Oxirane SCHEMBL11226649 0.75 CA2 (0.40) TSHRRECQLALDH1A1RAB9A
Acetonitrile SCHEMBL304666 0.75 CA12 (0.36) TSHRSMN1; SMN2CA12CA7CA14
SCHEMBL3634165 0.74 CA12 (0.44) TSHRSMN1; SMN2CA12CA7CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090305938-A1 Production of Amine Oxide Granulates and the Use Thereof HENKEL AG & CO. KGAA (DE) 2009-12-10 US disclosed
US-20080274941-A1 DETERGENT OR CLEANSER DOSING UNIT HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-11-06 US disclosed
US-7446084-B2 Process for manufacturing multi-phase detergents or cleaning agents in a water-soluble container HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-11-04 US disclosed
US-20070241474-A1 Process for the production of portioned packages made of water-soluble polymer film for detergent substances HENKEL AG & CO. KGAA (DE) 2007-10-18 US disclosed
US-20070203047-A1 Dishwasher Detergent HENKEL KGAA (DE) 2007-08-30 US disclosed
US-20070167340-A1 Multi-chambered pouch HENKEL AG & CO. KGAA (DE) 2007-07-19 US disclosed