Butadiene

Butadiene

SCHEMBL34686

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

nearest known ligand 0.92

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.92
HPGD P15428 1/20 0.92
ALDH1A1 P00352 4/20 0.65
CYP3A4 P08684 1/20 0.65
ATM Q13315 1/20 0.63
HCAR2 Q8TDS4 3/20 0.55
TP53 P04637 2/20 0.54
HIF1A Q16665 2/20 0.54
HSD17B10 Q99714 1/20 0.54
THRB P10828 3/20 0.49
MAPT P10636 1/20 0.47
RAB9A P51151 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
NAAA Q02083 1/20 0.41

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
SCHEMBL11582291 0.96 TSHR (1.00) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL5681395 0.96 TSHR (1.00) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL1330627 0.96
SCHEMBL15037 0.96
SCHEMBL1331857 0.96
Benzene SCHEMBL3839775 0.94 TSHR (0.81) TSHRHPGDALDH1A1CYP3A4ATM
Acrylic Acid Ethyl Ester SCHEMBL10505156 0.94 TSHR (0.81) TSHRHPGDALDH1A1CYP3A4ATM
Acrylic Acid SCHEMBL11329135 0.94 TSHR (0.81) TSHRHPGDALDH1A1CYP3A4ATM
Methyl Alcohol SCHEMBL3865866 0.94 TSHR (0.96) TSHRHPGDALDH1A1CYP3A4ATM
Ethylene SCHEMBL48332 0.94 TSHR (0.96) TSHRHPGDALDH1A1CYP3A4ATM

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 559 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3470455-B1 POLYVINYL CHLORIDE-BASED RESIN MOLDED PRODUCT AND METHOD FOR MANUFACTURING THE SAME SHINETSU CHEMICAL CO (JP) 2020-11-04 EP claimed
CN-110229439-A A kind of novel polyvinyl-chloride use helps rapidoprint and preparation method thereof 江苏爱特恩高分子材料有限公司 2019-09-13 CN claimed
CN-110105782-A A kind of 3D printing material manufacture craft of wood powder material 台州学院 2019-08-09 CN claimed
EP-3470455-A1 POLYVINYL CHLORIDE-BASED RESIN MOLDED PRODUCT AND METHOD FOR MANUFACTURING THE SAME Shin-Etsu Chemical Co., Ltd. (JP) 2019-04-17 EP claimed
EP-2316883-B1 UNSATURATED ESTER RESIN COMPOSITION, UNSATURATED ESTER-CURED PRODUCT, AND MANUFACTURING METHOD THEREFOR KANEKA CORP (JP) 2018-01-24 EP claimed
CN-107345057-A A kind of 3D printing light fixture PP Pipe Compound 黑龙江鑫达企业集团有限公司 2017-11-14 CN claimed
CN-106700456-A Enhanced PLA material for 3D printing 黑龙江鑫达企业集团有限公司 2017-05-24 CN claimed
CN-106589863-A Toughened PLA material for 3D printing 黑龙江鑫达企业集团有限公司 2017-04-26 CN claimed
US-9127159-B2 Unsaturated ester resin composition, unsaturated ester-cured product, and manufacturing method therefor KANEKA CORPORATION (JP) 2015-09-08 US claimed
CN-101452231-B Method for producing toner composition XEROX CORP 2012-09-19 CN claimed
EP-2316883-A1 UNSATURATED ESTER RESIN COMPOSITION, UNSATURATED ESTER-CURED PRODUCT, AND MANUFACTURING METHOD THEREFOR Kaneka Corporation (JP) 2011-05-04 EP claimed
EP-1003933-A4 STARCH COPOLYMER PRODUCTS AND PROCESS PENFORD CORP (US) 2003-08-13 EP claimed
US-6450675-B1 MIXTURE OF POLYMER AND ANTISTATIC AGENT KANEKA CORP. (JP) 2002-09-17 US claimed
US-6270615-B1 THERMOPLASTIC RESIN KANEKA CORPORATION (JP) 2001-08-07 US claimed
EP-1112406-A1 SPILL RESISTANT CARPET BACKING THE DOW CHEMICAL COMPANY (US) 2001-07-04 EP claimed
EP-1003933-A1 STARCH COPOLYMER PRODUCTS AND PROCESS PENFORD CORPORATION (US) 2000-05-31 EP claimed
US-6040379-A WITH ONE OR MORE SYNTHETIC MONOMERS CAPABLE OF UNDERGOING FREE RADICAL POLYMERIZATION WHEREIN SAID REACTION PRODUCT IS IN THE FORM OF AN EMULSION OR DISPERSION HAVING WEIGHT AVERAGE PARTICLE SIZES GREATER THAN 120 NM PENFORD CORPORATION (US) 2000-03-21 US claimed
WO-2000009798-A1 SPILL RESISTANT CARPET BACKING THE DOW CHEMICAL COMPANY (US) 2000-02-24 WO claimed
WO-1999009251-A1 STARCH COPOLYMER PRODUCTS AND PROCESS PENFORD CORPORATION (US) 1999-02-25 WO claimed
US-4965315-A AROMATIC VINYL MONOMER AND VINYL CYANIDE MONOMER, DIENE RUBBER LATEX DENKI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1990-10-23 US claimed