Acetonitrile

Acetonitrile

SCHEMBL4889932

CC#N.CC1CNCCO1.CCOS(=O)(=O)O

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.34
ADRB2 P07550 1/20 0.31
HTR1A P08908 1/20 0.31
HTR2A P28223 1/20 0.31
SLC6A4 P31645 1/20 0.31
ADRA1A P35348 1/20 0.31
HTR2B P41595 1/20 0.31
SLC6A3 Q01959 1/20 0.31

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 SCHEMBL1470516 0.86 SLC6A2 (0.30) SLC6A2
Acetonitrile SCHEMBL1690421 0.79
SCHEMBL17646434 0.78 SLC6A2 (0.33) SLC6A2
SCHEMBL4429079 0.77 HTR2A (0.42) SLC6A2ADRB2HTR1AHTR2ASLC6A4
Sulfuric Acid SCHEMBL28229459 0.77 SSTR4 (0.33) SLC6A2
Ammonia Solution, Strong SCHEMBL28244937 0.76 SLC6A2 (0.41) SLC6A2ADRB2HTR1AHTR2ASLC6A4
Sulfuric Acid SCHEMBL28227579 0.76 SSTR4 (0.33) SLC6A2
SCHEMBL27772791 0.76 SLC6A2 (0.37) SLC6A2
Morpholine SCHEMBL27634152 0.73 MEN1 (0.39)
SCHEMBL11070404 0.73 SSTR4 (0.31) SLC6A2

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
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-20070167340-A1 Multi-chambered pouch HENKEL AG & CO. KGAA (DE) 2007-07-19 US disclosed