Butadiene

Butadiene

SCHEMBL8524026

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

nearest known ligand 0.31

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Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.31
HTR2A P28223 1/20 0.31

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
SCHEMBL4558375 0.92 GPR3 (0.35) GPR3HTR2A
SCHEMBL28973379 0.90 GPR3 (0.36) GPR3HTR2A
SCHEMBL8522938 0.88 POLB (0.33) GPR3HTR2A
Butadiene SCHEMBL6885291 0.87
Butadiene SCHEMBL83948 0.87
SCHEMBL8523391 0.82
Butadiene SCHEMBL7592871 0.81
Butadiene SCHEMBL84577 0.79
SCHEMBL821476 0.78
Butadiene SCHEMBL8467284 0.78 KMT2A (0.31) GPR3HTR2A

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