Butadiene

Butadiene

SCHEMBL3304587

C=CC(=C)C.C=CC(=C)C.C=CC=C.C=CC=C

nearest known ligand 0.83

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Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.83
TSHR P16473 2/20 0.83
TP53 P04637 1/20 0.83

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 SCHEMBL1283445 1.00 ALDH1A1 (0.83) ALDH1A1TSHRTP53
Butadiene SCHEMBL5984068 1.00 ALDH1A1 (0.83) ALDH1A1TSHRTP53
Butadiene SCHEMBL1405690 1.00 ALDH1A1 (0.83) ALDH1A1TSHRTP53
Butadiene SCHEMBL23535052 1.00 ALDH1A1 (0.83) ALDH1A1TSHRTP53
Butadiene SCHEMBL108943 1.00
Butadiene SCHEMBL23535058 1.00 ALDH1A1 (0.83) ALDH1A1TSHRTP53
Butadiene SCHEMBL10325977 1.00 ALDH1A1 (0.83) ALDH1A1TSHRTP53
Butadiene SCHEMBL2784523 1.00 ALDH1A1 (0.83) ALDH1A1TSHRTP53
Butadiene SCHEMBL5913606 0.96 ALDH1A1 (0.77) ALDH1A1TSHRTP53
Butadiene SCHEMBL28974268 0.96 ALDH1A1 (0.77) ALDH1A1TSHRTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8754169-B2 Method of preparing rubber comprising polymeric compositions and isoprene comprising interpolymers BRIDGESTONE CORPORATION (JP) 2014-06-17 US disclosed
EP-2113002-B1 METHOD OF PREPARING RUBBER COMPRISING POLYMERIC COMPOSITIONS AND COMPOSITIONS FIRESTONE POLYMERS LLC (US) 2013-07-17 EP disclosed
US-20130041105-A1 METHOD OF PREPARING RUBBER COMPRISING POLYMERIC COMPOSITIONS AND ISOPRENE COMPRISING INTERPOLYMERS FIRESTONE POLYMERS, LLC 2013-02-14 US disclosed
US-20100113699-A1 METHOD OF PREPARING RUBBER COMPRISING POLYMERIC COMPOSITIONS AND ISOPRENE COMPRISING INTERPOLYMERS DEDECKER MARK N 2010-05-06 US disclosed
EP-2113002-A2 METHOD OF PREPARING RUBBER COMPRISING POLYMERIC COMPOSITIONS AND ISOPRENE COMPRISING INTERPOLYMERS Firestone Polymers, LLC (US) 2009-11-04 EP disclosed
WO-2008085428-A2 METHOD OF PREPARING RUBBER COMPRISING POLYMERIC COMPOSITIONS AND ISOPRENE COMPRISING INTERPOLYMERS FIRESTONE POLYMERS, LLC (US) 2008-07-17 WO disclosed
EP-0728156-A1 HYDROGENATED ASYMMETRIC RADIAL COPOLYMERS SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1996-08-28 EP disclosed
WO-1995013314-A1 HYDROGENATED ASYMMETRIC RADIAL COPOLYMERS SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 1995-05-18 WO disclosed