Butadiene

Butadiene

SCHEMBL9764756

C=C.C=CC.C=CC=C.CCC

nearest known ligand 0.33

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Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
ALDH1A1 P00352 1/20 0.30

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
Propene SCHEMBL10795836 0.91
Propene SCHEMBL28921134 0.87 TSHR (0.35) TSHRALDH1A1
Butadiene SCHEMBL7113353 0.87
Propene SCHEMBL9308404 0.87
Propene SCHEMBL27863395 0.87 TSHR (0.40) TSHRALDH1A1
Propene SCHEMBL241947 0.87
Propene SCHEMBL16401493 0.87
Butadiene SCHEMBL940440 0.87
Propene SCHEMBL1615358 0.87 TSHR (0.40) TSHRALDH1A1
Butadiene SCHEMBL20657942 0.85 TSHR (0.37) TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4988660-A Metal oxide catalysts for oxidative coupling of hydrocarbons to form higher hydrocarbons UNION CARBIDE CHEMICALS AND PLASTICS COMPANY INC. (US) 1991-01-29 US disclosed
US-4982041-A ALKANE TO HIGHER HYDROCARBONS UNION CARBIDE CHEMICALS AND PLASTICS COMPANY INC. (US) 1991-01-01 US disclosed