Butadiene

Butadiene

SCHEMBL18148985

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

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
SCHEMBL604419 0.74
Butadiene SCHEMBL7170748 0.73 TRPA1 (0.36) TRPA1ALDH1A1TSHR
Butadiene SCHEMBL4806534 0.73 TRPA1 (0.36) TRPA1ALDH1A1TSHR
Butadiene SCHEMBL5169400 0.73
Butadiene SCHEMBL10461140 0.68
SCHEMBL3347453 0.68
Butadiene SCHEMBL8016627 0.68
SCHEMBL10761808 0.68
Butadiene SCHEMBL461643 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112048111-B Process for preparing blends of cis-1, 4-polybutadiene and syndiotactic 1, 2-polybutadiene 株式会社普利司通 2022-12-02 CN disclosed
CN-112048111-A Process for preparing blends of cis-1, 4-polybutadiene and syndiotactic 1, 2-polybutadiene 株式会社普利司通 2020-12-08 CN disclosed
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