Butadiene

Butadiene

SCHEMBL3320515

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

nearest known ligand 0.67

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Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.67
HPGD P15428 1/20 0.67
ALDH1A1 P00352 5/20 0.49
CYP3A4 P08684 1/20 0.49
ATM Q13315 1/20 0.47
HCAR2 Q8TDS4 3/20 0.42
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TP53 P04637 2/20 0.41
HIF1A Q16665 2/20 0.41
HSD17B10 Q99714 1/20 0.41
THRB P10828 3/20 0.39

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
Butadiene SCHEMBL28075640 0.97 TSHR (0.63) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL7532090 0.97 TSHR (0.71) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL10893415 0.97 TSHR (0.71) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL27965774 0.97 TSHR (0.71) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL35081 0.97 TSHR (0.71) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL5844442 0.97 TSHR (0.71) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL521825 0.97 TSHR (0.71) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL28682532 0.94 TSHR (0.67) TSHRHPGDALDH1A1CYP3A4ATM
Acrylic Acid Methyl Ester SCHEMBL6744119 0.94 TSHR (0.67) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL7921491 0.94 TSHR (0.67) 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115850943-A Flame-retardant mineral-filled PC/ABS composition 上海中镭新材料科技有限公司 2023-03-28 CN claimed
US-7678321-B2 Clear and resilient artificial fingernail tip OPI PRODUCTS, INC. (US) 2010-03-16 US claimed
US-20060102189-A1 Clear and resilient artificial fingernail tip COTY INC. 2006-05-18 US claimed
CN-115850943-A Flame-retardant mineral-filled PC/ABS composition 上海中镭新材料科技有限公司 2023-03-28 CN disclosed
CN-113372701-A PC/ABS and graphene conductive composite material 大河宝利材料科技(苏州)有限公司 2021-09-10 CN disclosed
US-20180237636-A1 INTERIOR AND EXTERIOR MEMBER FOR AUTOMOBILE MAZDA MOTOR CORPORATION (JP) 2018-08-23 US disclosed
US-20180237636-A1 INTERIOR AND EXTERIOR MEMBER FOR AUTOMOBILE MAZDA MOTOR CORPORATION (JP) 2018-08-23 US disclosed
WO-2017033417-A1 INTERIOR AND EXTERIOR MEMBER FOR AUTOMOBILE マツダ株式会社 2017-03-02 WO disclosed
US-7678321-B2 Clear and resilient artificial fingernail tip OPI PRODUCTS, INC. (US) 2010-03-16 US disclosed
US-20060102189-A1 Clear and resilient artificial fingernail tip COTY INC. 2006-05-18 US disclosed
US-5164434-A Sulfide compound for thermal and/or oxidative stabilization of polymers ROHM AND HAAS COMPANY (US) 1992-11-17 US disclosed
EP-0488550-A1 Thermal stabilizers ROHM AND HAAS COMPANY (US) 1992-06-03 EP disclosed