Sugi Predict

Sugi Predict / Compounds / Acetonitrile

Acetonitrile

Acetonitrile

SCHEMBL10783265

C=CC(C=C)(CCCC(=O)O)C(=O)O.C=CCC(=O)O.CC#N

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ABCC4 O15439 1/20 0.35
▸ MAPT P10636 1/20 0.35

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
SCHEMBL3440764 0.82 ABCC4 (0.43) ABCC4MAPT
Adipic Acid SCHEMBL1326484 0.81 ABCC4 (0.47) ABCC4MAPT
SCHEMBL20564134 0.77 ABCC4 (0.47) ABCC4MAPT
SCHEMBL4166126 0.76 ABCC4 (0.50) ABCC4MAPT
SCHEMBL4157165 0.76 ABCC4 (0.50) ABCC4MAPT
SCHEMBL3440807 0.76 ABCC4 (0.50) ABCC4MAPT
SCHEMBL2783596 0.76 ABCC4 (0.50) ABCC4MAPT
SCHEMBL1907123 0.71 MEN1 (0.39) ABCC4MAPT
Adipic Acid SCHEMBL9301250 0.71 ABCC4 (0.62) ABCC4MAPT
Adipic Acid SCHEMBL27911594 0.67 LMNA (0.65) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0083988-B1 ELECTROCHROMIC DISPLAY DEVICE SEIKO INSTRUMENTS INC. (JP) 1987-11-11 — — EP claimed
EP-0083988-B1 ELECTROCHROMIC DISPLAY DEVICE SEIKO INSTRUMENTS INC. (JP) 1987-11-11 — — EP disclosed