Acetonitrile

Acetonitrile

SCHEMBL1311269

CC#N.COC(=O)CCN(CC#N)CCOC(C)=O.N#CCNCCO

nearest known ligand 0.32

Full drug profile on Sugi Atlas →

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL65308 0.87 MEN1 (0.40) ALDH1A1MEN1KMT2A
SCHEMBL65286 0.76 KMT2A (0.44) ALDH1A1MEN1KMT2A
SCHEMBL65473 0.75 CYP1A2 (0.42) ALDH1A1
SCHEMBL65128 0.75 MEN1 (0.39) ALDH1A1MEN1KMT2A
SCHEMBL64223 0.74 KMT2A (0.43) ALDH1A1MEN1KMT2A
SCHEMBL63503 0.74 KMT2A (0.48) ALDH1A1MEN1KMT2A
SCHEMBL65566 0.74 KMT2A (0.48) ALDH1A1MEN1KMT2A
SCHEMBL6830195 0.72 MEN1 (0.39) MEN1KMT2A
SCHEMBL64040 0.72 CYP1A2 (0.42) ALDH1A1
Acetonitrile SCHEMBL64041 0.71 ALDH1A1 (0.38) ALDH1A1MEN1KMT2A

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
US-8053165-B2 Hydroxyl-containing monomer, polymer, resist composition, and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2011-11-08 US disclosed
US-20090239179-A1 HYDROXYL-CONTAINING MONOMER, POLYMER, RESIST COMPOSITION, AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2009-09-24 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090239179-A1 HYDROXYL-CONTAINING MONOMER, POLYMER, RESIST COMPOSITION, AND PATTERNING PROCESS RAD51, REV1, H1-0 ALDH1A1 774/4885MEN1 295/4885KMT2A 923/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.