Butadiene

Butadiene

SCHEMBL8463299

C=CC=C.C[Ti](C)(NC(=O)C1CCCCCCCCCCC1)C1CCC2C=CC=CC21.[SiH4]

nearest known ligand 0.31

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Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
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
SCHEMBL8845663 0.94 HDAC8 (0.34) HDAC8HDAC6
SCHEMBL8463601 0.92 HDAC8 (0.31) HDAC8HDAC6
SCHEMBL8466288 0.87
SCHEMBL8465295 0.84 ALDH1A1 (0.37)
Butadiene SCHEMBL8677284 0.79 HSD11B1 (0.33) HDAC8HDAC6
Butadiene SCHEMBL8466900 0.77 MEN1 (0.31)
Butadiene SCHEMBL8467248 0.76
Butadiene SCHEMBL8522203 0.73
Butadiene SCHEMBL8677265 0.71 HDAC8 (0.32) HDAC8HDAC6
SCHEMBL8467114 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0767795-B1 GROUP 4 METAL DIENE COMPLEXES AND ADDITION POLYMERIZATION CATALYSTS THEREFROM DOW CHEMICAL CO (US) 1999-12-22 EP disclosed
US-5770538-A Group 4 metal diene complexes and addition polymerization catalysts therefrom THE DOW CHEMICAL COMPANY (US) 1998-06-23 US disclosed
EP-0767795-A1 GROUP 4 METAL DIENE COMPLEXES AND ADDITION POLYMERIZATION CATALYSTS THEREFROM THE DOW CHEMICAL COMPANY (US) 1997-04-16 EP 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
WO-1996000734-A1 GROUP 4 METAL DIENE COMPLEXES AND ADDITION POLYMERIZATION CATALYSTS THEREFROM THE DOW CHEMICAL COMPANY (US) 1996-01-11 WO disclosed