Butadiene

Butadiene

SCHEMBL8467284

C=CC=C.C[Ti](C)(NC=O)C1c2ccccc2-c2ccccc21.[SiH4]

nearest known ligand 0.31

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Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31
NCOR2 Q9Y618 1/20 0.31
GPR3 P46089 1/20 0.31
HTR2A P28223 1/20 0.31
POLB P06746 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
SCHEMBL8466034 0.88 POLB (0.35) KMT2AHDAC3HDAC4HDAC7HDAC8
SCHEMBL8463596 0.84 KMT2A (0.31) KMT2AHDAC3HDAC4HDAC7HDAC8
SCHEMBL8463485 0.84 TSHR (0.31) KMT2AHDAC3HDAC4HDAC7HDAC8
Butadiene SCHEMBL8524026 0.78 GPR3 (0.31) GPR3HTR2A
Butadiene SCHEMBL8463302 0.76 KMT2A (0.40) KMT2AHDAC3HDAC4HDAC7HDAC8
Butadiene SCHEMBL8463315 0.74 SIGMAR1 (0.31)
Butadiene SCHEMBL8463476 0.72 CYP2C19 (0.41) KMT2AHDAC3
Butadiene SCHEMBL8523090 0.69 GPR3 (0.31) GPR3
SCHEMBL4558375 0.68 GPR3 (0.35) KMT2AHDAC3HDAC4HDAC7HDAC8
Butadiene SCHEMBL6885291 0.67

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