Butadiene

Butadiene

SCHEMBL6909849

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

nearest known ligand 0.62

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Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.62
TP53 P04637 1/20 0.62
TSHR P16473 1/20 0.62

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
SCHEMBL466015 0.94 ALDH1A1 (0.71) ALDH1A1TP53TSHR
Butadiene SCHEMBL5984068 0.87 ALDH1A1 (0.83) ALDH1A1TP53TSHR
Butadiene SCHEMBL10325977 0.87 ALDH1A1 (0.83) ALDH1A1TP53TSHR
Butadiene SCHEMBL3304587 0.87 ALDH1A1 (0.83) ALDH1A1TP53TSHR
Butadiene SCHEMBL23535058 0.87 ALDH1A1 (0.83) ALDH1A1TP53TSHR
Butadiene SCHEMBL23535052 0.87 ALDH1A1 (0.83) ALDH1A1TP53TSHR
Butadiene SCHEMBL1283445 0.87 ALDH1A1 (0.83) ALDH1A1TP53TSHR
Butadiene SCHEMBL2784523 0.87 ALDH1A1 (0.83) ALDH1A1TP53TSHR
Butadiene SCHEMBL108943 0.87
Butadiene SCHEMBL1405690 0.87 ALDH1A1 (0.83) ALDH1A1TP53TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1144535-B1 AUTODEPOSITABLE ADHESIVE LORD CORP (US) 2004-11-03 EP claimed