Acrylonitrile

Acrylonitrile

SCHEMBL22207118

C=CC#N.CC(=CC=Cc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.43
KMT2A Q03164 1/20 0.41
GAA P10253 1/20 0.40
LMNA P02545 4/20 0.40
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 3/20 0.40
HPGD P15428 3/20 0.40
HTT P42858 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP2C19 P33261 1/20 0.38
POLB P06746 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
GLA P06280 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GRIK1 P39086 1/20 0.35
EGFR P00533 1/20 0.34

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
SCHEMBL2363128 0.89 LMNA (0.46) MCL1GAALMNAALDH1A1KDM4E
Acrylonitrile SCHEMBL1275059 0.83 MCL1 (0.50) MCL1KMT2AGAALMNAALDH1A1
SCHEMBL1173073 0.81 LMNA (0.40) MCL1KMT2AGAALMNAALDH1A1
Acrylonitrile SCHEMBL25380555 0.80 GLA (0.42) KMT2ALMNAALDH1A1MAPTSMN1; SMN2
Acrylonitrile SCHEMBL25380559 0.80 CYP2C19 (0.38) MCL1KMT2AGAALMNAALDH1A1
SCHEMBL7947711 0.79 MCL1 (0.45) MCL1KMT2AGAALMNAALDH1A1
Styrene SCHEMBL22207117 0.78 ALDH1A1 (0.38) MCL1ALDH1A1MAPTSMN1; SMN2CYP2C19
SCHEMBL7949655 0.78 CYP3A4 (0.39) MCL1KMT2ALMNAALDH1A1KDM4E
Acrylonitrile SCHEMBL28220877 0.76 MGLL (0.45) MCL1KMT2AGAALMNAALDH1A1
SCHEMBL27467737 0.76 LMNA (0.46) MCL1KMT2AGAALMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11999686-B2 Process for de-polymerization of styrenic monomer-containing polymers and for retrieval of styrenic monomers INEOS STYROLUTION GROUP GMBH (DE) 2024-06-04 US disclosed
EP-3908563-B1 PROCESS FOR DE-POLYMERIZATION OF STYRENIC MONOMER-CONTAINING POLYMERS AND FOR RETRIEVAL OF STYRENIC MONOMERS INEOS STYROLUTION GROUP GMBH (DE) 2023-09-06 EP disclosed
EP-3908563-A1 PROCESS FOR DE-POLYMERIZATION OF STYRENIC MONOMER-CONTAINING POLYMERS AND FOR RETRIEVAL OF STYRENIC MONOMERS INEOS Styrolution Group GmbH (DE) 2021-11-17 EP disclosed
CN-113544108-A Process for depolymerizing styrene monomer-containing polymer and recovering styrene monomer 英力士苯领集团股份公司 2021-10-22 CN disclosed
WO-2020144165-A1 PROCESS FOR DE-POLYMERIZATION OF STYRENIC MONOMER-CONTAINING POLYMERS AND FOR RETRIEVAL OF STYRENIC MONOMERS INEOS STYROLUTION GROUP GMBH (DE) 2020-07-16 WO disclosed