Butadiene

Butadiene

SCHEMBL9419686

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

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.47
HPGD P15428 1/20 0.47
ATM Q13315 1/20 0.46
HCAR2 Q8TDS4 3/20 0.41
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ALDH1A1 P00352 3/20 0.37
TP53 P04637 1/20 0.33
ZDHHC20 Q5W0Z9 2/20 0.33
ZDHHC2 Q9UIJ5 1/20 0.33
APP P05067 1/20 0.33
CYP3A4 P08684 1/20 0.33
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
NAAA Q02083 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
SCHEMBL2259513 0.95 ATM (0.50) TSHRHPGDATMHCAR2MAPT
Acrylic Acid SCHEMBL17387529 0.92 TSHR (0.49) TSHRHPGDATMHCAR2MAPT
1,1-Dichloroethene SCHEMBL8510976 0.91 ATM (0.46) TSHRHPGDATMHCAR2MAPT
SCHEMBL11682342 0.90 TSHR (0.54) TSHRHPGDATMHCAR2NPSR1
Acrylic Acid Ethyl Ester SCHEMBL13685085 0.89 TSHR (0.54) TSHRHPGDATMHCAR2MAPT
Acrylic Acid Methyl Ester SCHEMBL10836090 0.89 TSHR (0.50) TSHRHPGDATMHCAR2MAPT
SCHEMBL11295941 0.88 TSHR (0.40) TSHRHPGDATMHCAR2MAPT
SCHEMBL11701988 0.87 TSHR (0.55) TSHRHPGDATMHCAR2MAPT
SCHEMBL9453892 0.86 TSHR (0.48) TSHRHPGDATMHCAR2MAPT
SCHEMBL3742848 0.86 TSHR (0.58) TSHRHPGDATMHCAR2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0383926-B1 HIGH-PRESSURE HOSE NIPPON ZEON CO (JP) 1994-04-13 EP disclosed
US-5272202-A Hydrogenation process of unsaturated, nitrile-group-containing polymer and aqueous emulsion of hydrogenated polymer NIPPON ZEON CO., LTD. (JP) 1993-12-21 US disclosed
US-5244943-A Hydrogenation, oil in water emulsion, film strength NIPPON ZEON CO., LTD. (JP) 1993-09-14 US disclosed
EP-0240697-B1 NITRILE GROUP-CONTAINING HIGHLY SATURATED POLYMER RUBBER LATEX AND PROCESS FOR PRODUCTION THEREOF NIPPON ZEON CO., LTD. (JP) 1993-05-26 EP disclosed
US-5169901-A Catalyzing in presence of high molecular complex of palladium compound and a nitrile grop-containing polymer NIPPON ZEON CO., LTD. (JP) 1992-12-08 US disclosed
US-5164457-A Palladium catalyst NIPPON ZEON CO., LTD. (JP) 1992-11-17 US disclosed
US-5128297-A Catalysis with palladium compound and acrylonitrile-conjugated diene polymer complex NIPPON ZEON CO., LTD. (JP) 1992-07-07 US disclosed
US-5032454-A CHLOROSULFONATED POLYETHYLENE AND RESORCINOL-FORMALDEHYDE RESIN NIPPON ZEON CO., LTD. (JP) 1991-07-16 US disclosed
US-4965323-A Method of vulcanizing rubber at pH 5 to 10 NIPPON ZEON CO., LTD. (JP) 1990-10-23 US disclosed
EP-0383926-A1 HIGH-PRESSURE HOSE NIPPON ZEON CO., LTD. (JP) 1990-08-29 EP disclosed
EP-0194678-B1 METHOD FOR BONDING RUBBERS TO FIBERS NIPPON ZEON CO., LTD. (JP) 1990-05-30 EP disclosed
US-4786675-A HEAT AND MOISTURE RESISTANCE, IMPACT STRENGTH NIPPON ZEON CO., LTD. (JP) 1988-11-22 US disclosed
EP-0240697-A1 Nitrile group-containing highly saturated polymer rubber latex and process for production thereof NIPPON ZEON CO., LTD. (JP) 1987-10-14 EP disclosed
US-4654404-A NITRILE CONTAINING RUBBER AND NITRILE CONTAINING LIQUID POLYMER NIPPON ZEON CO., LTD. (JP) 1987-03-31 US disclosed
US-4614779-A AUTOMOBILE TIRES NIPPON ZEON CO., LTD. (JP) 1986-09-30 US disclosed