Butadiene

Butadiene

SCHEMBL5675629

C=CC=C.CC(C)(C)N[Ti](C)(C)C1C=C(N2CCCC2)c2ccccc21.[SiH4]

nearest known ligand 0.30

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
DRD2 P14416 1/20 0.30
DRD4 P21917 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
SCHEMBL727269 0.94 ALDH1A1 (0.33) ALDH1A1MAPTDRD2DRD4
SCHEMBL906450 0.93
SCHEMBL5675677 0.91 ALDH1A1 (0.30) ALDH1A1MAPTDRD2DRD4
SCHEMBL6066244 0.77
Butadiene SCHEMBL8524026 0.72 GPR3 (0.31)
SCHEMBL6468553 0.71 CYP2C19 (0.40) ALDH1A1MAPTDRD2
Butadiene SCHEMBL8523143 0.68
Butadiene SCHEMBL6885291 0.67
Butadiene SCHEMBL83948 0.67
SCHEMBL7952833 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1228109-B1 SUPPORTED CATALYST COMPRISING EXPANDED ANIONS DOW GLOBAL TECHNOLOGIES INC (US) 2006-02-01 EP disclosed
US-6716786-B1 LEWIS ACIDS AND BASES THE DOW CHEMICAL COMPANY 2004-04-06 US disclosed
EP-1056752-B1 Catalyst activators comprising expanded anions DOW GLOBAL TECHNOLOGIES INC (US) 2003-06-25 EP disclosed
US-6462156-B2 AS POLYMERIZATION CATALYST FOR PRODUCING OLEFIN POLYMERS THE DOW CHEMICAL COMPANY 2002-10-08 US disclosed
US-20020132729-A1 Catalyst activators comprising expanded anions LAPOINTE ROBERT E (US) 2002-09-19 US disclosed
US-6395671-B2 ANION CONTAINING TWO LEWIS BASIC SITES WHICH ARE COORDINATED TO LEWIS ACIDS; FOR OLEFIN POLYMERIZATION THE DOW CHEMICAL COMPANY 2002-05-28 US disclosed
US-20010027161-A1 Catalyst activators comprising expanded anions THE DOW CHEMICAL COMPANY 2001-10-04 US disclosed