Acrylonitrile

Acrylonitrile

SCHEMBL9562514

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

nearest known ligand 0.75

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.75
ALDH1A1 P00352 8/20 0.39
THRB P10828 2/20 0.38
MAPT P10636 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TP53 P04637 1/20 0.36
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.31
USP2 O75604 1/20 0.30
LMNA P02545 1/20 0.30
CYP3A4 P08684 1/20 0.30
RECQL P46063 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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 SCHEMBL6658905 0.88 TSHR (0.56) TSHRALDH1A1THRBMAPT
SCHEMBL9562515 0.87 TSHR (0.78) TSHRALDH1A1THRBMAPTMEN1
SCHEMBL24562 0.87 TSHR (1.00) TSHRALDH1A1THRBHPGDSMN1; SMN2
Acetic Acid Isobutyl Ester SCHEMBL6312967 0.85 TSHR (0.52) TSHRALDH1A1MAPTMEN1KMT2A
SCHEMBL10595724 0.85 TSHR (0.81) TSHRALDH1A1THRBMAPTHPGD
SCHEMBL9082422 0.85 TSHR (0.95) TSHRALDH1A1THRBKDM4EHPGD
Hydroxyl Radical SCHEMBL28311885 0.85 TSHR (0.95) TSHRALDH1A1THRBKDM4EHPGD
Ethylene SCHEMBL27833189 0.85 TSHR (0.95) TSHRALDH1A1THRBKDM4EHPGD
SCHEMBL9818335 0.84 TSHR (0.78) TSHRALDH1A1THRBMAPTHPGD
Acrylic Acid SCHEMBL1473118 0.84 TSHR (0.78) TSHRALDH1A1THRBMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111821980-B Catalyst for morpholine production and preparation method thereof 四川鸿鹏新材料有限公司 2021-06-04 CN claimed
CN-111821981-B Catalyst for preparing morpholine by using diethylene glycol method and preparation method thereof 四川鸿鹏新材料有限公司 2021-04-13 CN claimed
CN-111821980-A Catalyst for morpholine production and preparation method thereof 四川鸿鹏新材料有限公司 2020-10-27 CN claimed
CN-111821981-A Catalyst for preparing morpholine by using diethylene glycol method and preparation method thereof 四川鸿鹏新材料有限公司 2020-10-27 CN claimed
CN-111821980-B Catalyst for morpholine production and preparation method thereof 四川鸿鹏新材料有限公司 2021-06-04 CN disclosed
CN-111821981-B Catalyst for preparing morpholine by using diethylene glycol method and preparation method thereof 四川鸿鹏新材料有限公司 2021-04-13 CN disclosed
CN-111821980-A Catalyst for morpholine production and preparation method thereof 四川鸿鹏新材料有限公司 2020-10-27 CN disclosed
CN-111821981-A Catalyst for preparing morpholine by using diethylene glycol method and preparation method thereof 四川鸿鹏新材料有限公司 2020-10-27 CN disclosed
US-5250361-A Containing copolymer of (meth)acrylonitrile and acrylated ester RICOH COMPANY LTD. (JP) 1993-10-05 US disclosed