Acrylonitrile

Acrylonitrile

SCHEMBL9562522

C=C(C)C(=O)OC(C)(C)C.C=CC#N

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
TSHR P16473 2/20 0.35
CTSK P43235 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
SCHEMBL9562013 0.84 TDP1 (0.46) ALDH1A1TSHRCTSK
Styrene SCHEMBL22207117 0.84 ALDH1A1 (0.38) ALDH1A1TSHRCTSK
Butadiene SCHEMBL28192911 0.84 ALDH1A1 (0.42) ALDH1A1TSHR
SCHEMBL33412 0.83 ALDH1A1 (0.50) ALDH1A1TSHR
SCHEMBL28298942 0.83 ALDH1A1 (0.50) ALDH1A1TSHR
Acrylonitrile SCHEMBL28272827 0.83 ALDH1A1 (0.35) ALDH1A1TSHR
SCHEMBL436660 0.82 TSHR (0.43) ALDH1A1TSHR
SCHEMBL28139252 0.81 ALDH1A1 (0.44) ALDH1A1TSHR
Ethylene SCHEMBL16830236 0.81 ALDH1A1 (0.48) ALDH1A1TSHR
Ammonia Solution, Strong SCHEMBL1022660 0.81 ALDH1A1 (0.48) ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260028470-A1 MOLDING COMPOSITION COMPRISING BLACK COLORANT BASF SE (DE) 2026-01-29 US disclosed
CN-119585350-A Molding composition comprising black colorant 巴斯夫欧洲公司 2025-03-07 CN disclosed
US-5250361-A Containing copolymer of (meth)acrylonitrile and acrylated ester RICOH COMPANY LTD. (JP) 1993-10-05 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-20260028470-A1 MOLDING COMPOSITION COMPRISING BLACK COLORANT MAP1LC3A, MAP1LC3C, MAP1LC3B ALDH1A1 3052/4885TSHR 4684/4885CTSK 4430/4885

“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.