Acetonitrile

Acetonitrile

SCHEMBL6712003

CC#N.CC#N.CCCCCCCCCCCCP(CCCCCCCCCCCC)CCCP(CCCCCCCCCCCC)CCCCCCCCCCCC.F[B-](F)(F)F.F[B-](F)(F)F.[Pd+2]

nearest known ligand 0.32

Full drug profile on Sugi Atlas →

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.32
THRB P10828 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 SCHEMBL6712248 1.00 TSHR (0.32) TSHRTHRB
Acetonitrile SCHEMBL6716098 1.00 TSHR (0.32) TSHRTHRB
Acetonitrile SCHEMBL6716095 1.00 TSHR (0.32) TSHRTHRB
Acetonitrile SCHEMBL6710655 1.00 TSHR (0.32) TSHRTHRB
Acetonitrile SCHEMBL6711900 1.00 TSHR (0.32) TSHRTHRB
Acetonitrile SCHEMBL6710742 1.00 TSHR (0.32) TSHRTHRB
Acetonitrile SCHEMBL6712362 1.00 TSHR (0.32) TSHRTHRB
Acetonitrile SCHEMBL6709398 0.98 TSHR (0.31) TSHR
Acetonitrile SCHEMBL6711802 0.92 TSHR (0.32) TSHR
Acetonitrile SCHEMBL6712556 0.88

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
US-20040167259-A1 Method for producing aqueous copolymer dispersions of copolymers consisting of carbon monoxide and olefinically unsaturated compounds BASF AKTIENGESELLSCHAFT (DE) 2004-08-26 US disclosed