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Acrylonitrile

Acrylonitrile

SCHEMBL195459

C=C(C)C(=O)OCC1CO1.C=C(CC=C(C)C(=O)O)C(=O)OC.C=CC#N.C=CC(=O)OCCCC

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.42
▸ TSHR P16473 3/20 0.37
▸ HPGD P15428 1/20 0.37

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
Acrylonitrile SCHEMBL94006 0.87 ALDH1A1 (0.56) ALDH1A1TSHRHPGD
Acrylic Acid SCHEMBL6705619 0.87 ALDH1A1 (0.40) ALDH1A1TSHRHPGD
Acrylic Acid Ethyl Ester SCHEMBL21493215 0.87 ALDH1A1 (0.48) ALDH1A1TSHRHPGD
SCHEMBL5072656 0.84 TSHR (0.50) ALDH1A1TSHRHPGD
SCHEMBL7970236 0.84 TSHR (0.44) ALDH1A1TSHRHPGD
SCHEMBL7957498 0.83 ALDH1A1 (0.56) ALDH1A1TSHRHPGD
SCHEMBL10424898 0.83 ALDH1A1 (0.58) ALDH1A1TSHRHPGD
Methacrylic Acid SCHEMBL4814817 0.82 ALDH1A1 (0.59) ALDH1A1TSHRHPGD
SCHEMBL5361438 0.82 TSHR (0.55) ALDH1A1TSHRHPGD
SCHEMBL2878453 0.82 TSHR (0.55) ALDH1A1TSHRHPGD

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
EP-2403038-B1 ELECTRODE FOR LITHIUM-ION SECONDARY BATTERY ZEON CORP (JP) 2017-09-20 — — EP disclosed
US-8822074-B2 Electrode for lithium-ion secondary battery ZEON CORPORATION (JP) 2014-09-02 — — US disclosed
EP-2403038-A1 ELECTRODE FOR LITHIUM-ION SECONDARY BATTERY Zeon Corporation (JP) 2012-01-04 — — EP disclosed