Butadiene

Butadiene

SCHEMBL18148992

C=CC=C.C=O.C=O.C=O.[Co]

nearest known ligand 0.46

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Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46

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 SCHEMBL18148984 1.00 TRPA1 (0.46) TRPA1ALDH1A1TSHR
Butadiene SCHEMBL8016627 0.94
Butadiene SCHEMBL16909979 0.88 TRPA1 (0.46) TRPA1ALDH1A1TSHR
Butadiene SCHEMBL7202968 0.87
Butadiene SCHEMBL8165910 0.82 TRPA1 (0.42) TRPA1ALDH1A1TSHR
Butadiene SCHEMBL8152914 0.82 TRPA1 (0.42) TRPA1ALDH1A1TSHR
Butadiene SCHEMBL30356971 0.80
Butadiene SCHEMBL10461140 0.80
Butadiene SCHEMBL11854764 0.79 TRPA1 (0.44) TRPA1ALDH1A1TSHR
Butadiene SCHEMBL10457929 0.79 TRPA1 (0.44) TRPA1ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3077455-B1 PROCESS FOR PREPARING BLENDS OF CIS-1,4-POLYBUTADIENE AND SYNDIOTACTIC 1,2-POLYBUTADIENE BRIDGESTONE CORP (JP) 2020-08-12 EP disclosed
US-9982115-B2 Process for preparing blends of cis-1,4-polybutadiene and syndiotactic 1,2-polybutadiene BRIDGESTONE CORPORATION (JP) 2018-05-29 US disclosed
US-20160304707-A1 Process For Preparing Blends Of Cis-1,4-Polybutadiene And Syndiotactic 1,2-Polybutadiene BRIDGESTONE CORPORATION (JP) 2016-10-20 US disclosed