Butadiene

Butadiene

SCHEMBL7170748

C=CC=C.C=CC=C.O=C=[Fe]

nearest known ligand 0.36

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Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36

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 SCHEMBL10877819 0.80
SCHEMBL76224 0.74
Butadiene SCHEMBL18148985 0.73 TRPA1 (0.36) TRPA1ALDH1A1TSHR
Butadiene SCHEMBL4806534 0.73 TRPA1 (0.36) TRPA1ALDH1A1TSHR
Butadiene SCHEMBL5169400 0.73
SCHEMBL11320944 0.68
Butadiene SCHEMBL8016627 0.68
SCHEMBL3181343 0.68
Butadiene SCHEMBL10461140 0.68
SCHEMBL3480866 0.68

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
US-10035908-B1 Process for preparing blends of trans-1,4-polybutadiene and syndiotactic 1,2-polybutadiene BRIDGESTONE CORPORATION (JP) 2018-07-31 US disclosed
US-6627712-B2 Reaction product of an iron-containing compound, a silyl phosphonate, and an organoaluminum compound to polymerize 1,3-butadiene into syndiotactic 1,2-polybutadiene BRIDGESTONE CORPORATION (JP) 2003-09-30 US disclosed
US-20030166802-A1 Polymerization process for preparing syndiotactic 1,2-polybutadiene BRIDGESTONE CORP. 2003-09-04 US disclosed
WO-2003040231-A1 PROCESS FOR PRODUCING BLENDS OF SYNDIOTACTIC 1,2-POLYBUTADIENE AND RUBBERY ELASTOMERS BRIDGESTONE CORPORATION (JP) 2003-05-15 WO disclosed
US-20020156210-A1 Manufacture of conjugated diene polymers by using an iron-based catalyst composition BRIDGESTONE CORP. 2002-10-24 US disclosed
US-20020137862-A1 Preparation of conjugated diene polymers by using an iron-based catalyst system LUO STEVEN (US) 2002-09-26 US disclosed
WO-2002066554-A1 MANUFACTURE OF BLENDS OF SYNDIOTACTIC 1,2-POLYBUTADIENE AND RUBBERY ELASTOMERS BRIDGESTONE CORPORATION (JP) 2002-08-29 WO disclosed
US-6433237-B1 USING COORDINATION CATALYST BRIDGESTONE CORPORATION (JP) 2002-08-13 US disclosed
US-20020013435-A1 Catalyst composition and process for controlling the characteristics of conjugated diene polymers LUO STEVEN (US) 2002-01-31 US disclosed
US-6331594-B2 WITHIN RUBBER CEMENT, COMPOSITION IS REACTION PRODUCT OF AN IRON-CONTAINING COMPOUND, A HYDROGEN PHOSPHITE, AND AN ORGANOALUMINUM COMPOUND, OBVIATES NEED FOR HIGH-TEMPERATURE MIXING, NONTOXIC BRIDGESTONE CORPORATION (JP) 2001-12-18 US disclosed
US-6320004-B1 FORMED BY COMBINING (A) A IRON-CONTAINING COMPOUND; (B) AN ORGANOMAGNESIUM COMPOUND; AND (C) A SILYL PHOSPHONATE; POLYMERIZING CONJUGATED DIENE MONOMERS BRIDGESTONE CORPORATION (JP) 2001-11-20 US disclosed
US-20010007000-A1 Process for producing blends of syndiotactic 1,2-polybutadiene and rubbery elastomers with an iron-based catalyst system LUO STEVEN (US) 2001-07-05 US disclosed