Acrylonitrile

Acrylonitrile

SCHEMBL9330815

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

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.42
HPGD P15428 1/20 0.41
ALDH1A1 P00352 3/20 0.38
ATM Q13315 1/20 0.36
HCAR2 Q8TDS4 3/20 0.36
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
POLB P06746 1/20 0.32
APEX1 P27695 1/20 0.32
HTT P42858 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TP53 P04637 1/20 0.31
KDM4E B2RXH2 1/20 0.31
THRB P10828 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
SCHEMBL168598 0.90 TSHR (0.50) TSHRHPGDALDH1A1ATMHCAR2
Methacrylic Acid SCHEMBL725335 0.87 TSHR (0.51) TSHRHPGDALDH1A1ATMHCAR2
Acrylonitrile SCHEMBL9747659 0.86 ALDH1A1 (0.45) TSHRHPGDALDH1A1CYP2C9CYP2C19
SCHEMBL14660709 0.84 TSHR (0.60) TSHRHPGDALDH1A1ATMHCAR2
SCHEMBL6274865 0.84 TSHR (0.60) TSHRHPGDALDH1A1ATMHCAR2
SCHEMBL17063567 0.84 TSHR (0.60) TSHRHPGDALDH1A1ATMHCAR2
SCHEMBL28078386 0.84 TSHR (0.60) TSHRHPGDALDH1A1ATMHCAR2
SCHEMBL10891919 0.84 TSHR (0.42) TSHRHPGDALDH1A1ATMHCAR2
Oxirane SCHEMBL2529221 0.83 TSHR (0.44) TSHRHPGDALDH1A1ATMHCAR2
SCHEMBL11698023 0.83 TSHR (0.44) TSHRHPGDALDH1A1ATMHCAR2

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
EP-0429027-B1 Flame retardant adhesive composition and laminates DU PONT (US) 1994-04-06 EP disclosed
US-5272375-A Electronic assembly with optimum heat dissipation E. I. DU PONT DE NEMOURS AND COMPANY (US) 1993-12-21 US disclosed
US-5080958-A MULTILAYER INTERCONNECTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-01-14 US disclosed
EP-0429027-A1 Flame retardant adhesive composition and laminates E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-05-29 EP disclosed
EP-0411551-A2 Multilayer interconnects E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-02-06 EP disclosed
EP-0196072-A2 Iodine compound activation of autodepositing baths AMCHEM PRODUCTS, INC. (US) 1986-10-01 EP disclosed
US-4578419-A BUTADIENE-STYRENE COPOLYMER, HYDROFLUORIC ACID, IODINE OXIDIZERS; CORROSION RESRSTANR COATING FOR IRON-ZINC ALLOYS AMCHEM PRODUCTS, INC. (US) 1986-03-25 US disclosed
US-4554305-A IODINE SALT OR ACID OXIDIZER, CARBOXYLIC ACID AMCHEM PRODUCTS, INC. (US) 1985-11-19 US disclosed
US-4264669-A Bondable adhesive-coated poly(parabanic acid) film and laminates E. I. DU PONT DE NEMOURS AND COMPANY (US) 1981-04-28 US disclosed