Butadiene

Butadiene

SCHEMBL8677284

C=CC=C.C[Ti](C)(NC(=O)C1CCCCCCCCCCC1)C1C2C=CC=CC2C2CCCCC21.[SiH4]

nearest known ligand 0.33

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Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.33
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 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
SCHEMBL8676598 0.91 HSD11B1 (0.33) HSD11B1HDAC8HDAC6
SCHEMBL8677042 0.87 HSD11B1 (0.31) HSD11B1
SCHEMBL8678494 0.84 ALDH1A1 (0.37)
Butadiene SCHEMBL8465296 0.80 RAB9A (0.33)
Butadiene SCHEMBL8465856 0.79
Butadiene SCHEMBL8846307 0.79
Butadiene SCHEMBL8463299 0.79 HDAC8 (0.30) HDAC8HDAC6
Butadiene SCHEMBL8522624 0.76
SCHEMBL8466010 0.73
SCHEMBL8845663 0.71 HDAC8 (0.34) HSD11B1HDAC8HDAC6

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
US-5770538-A Group 4 metal diene complexes and addition polymerization catalysts therefrom THE DOW CHEMICAL COMPANY (US) 1998-06-23 US disclosed
US-5539068-A Group 4, metal-conjugated diene metallocyclopentene complexes, and addition polymerization catalysts therefrom THE DOW CHEMICAL COMPANY (US) 1996-07-23 US disclosed
US-5486632-A Group 4 metal diene complexes and addition polymerization catalysts therefrom THE DOW CHEMICAL COMPANY (US) 1996-01-23 US disclosed