Butadiene

Butadiene

SCHEMBL8676907

C=CC=C.O=CN[Ti]1(C2C=Cc3ccccc32)CC1

nearest known ligand 0.31

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Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 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
SCHEMBL8678560 0.88 SIGMAR1 (0.32) SIGMAR1
SCHEMBL8679199 0.86 SIGMAR1 (0.30) SIGMAR1
SCHEMBL8681254 0.85 SIGMAR1 (0.30) SIGMAR1
Butadiene SCHEMBL8678422 0.78 KDM1A (0.34)
Butadiene SCHEMBL8676911 0.75 HPGD (0.37)
Butadiene SCHEMBL8678594 0.74 HDAC3 (0.31)
Butadiene SCHEMBL8678563 0.70
SCHEMBL8677532 0.70 KDM4E (0.31)
SCHEMBL8679145 0.69
SCHEMBL2536750 0.68 HTR2A (0.36) SIGMAR1

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