Butadiene

Butadiene

SCHEMBL8752736

C=CC(=C)C.C=CC=C.C=CC=CC(=C)C

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
TP53 P04637 1/20 0.56
TSHR P16473 1/20 0.56

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
Butadiene SCHEMBL4814860 0.94 ALDH1A1 (0.44) ALDH1A1TP53TSHR
SCHEMBL438836 0.91
SCHEMBL1000736 0.91
SCHEMBL13663854 0.91
SCHEMBL28854466 0.83 ALDH1A1 (0.40) ALDH1A1TP53TSHR
SCHEMBL11871399 0.82 ALDH1A1 (0.71) ALDH1A1TP53TSHR
Butadiene SCHEMBL23535052 0.82 ALDH1A1 (0.83) ALDH1A1TP53TSHR
Butadiene SCHEMBL108943 0.82
Butadiene SCHEMBL2784523 0.82 ALDH1A1 (0.83) ALDH1A1TP53TSHR
Butadiene SCHEMBL10325977 0.82 ALDH1A1 (0.83) ALDH1A1TP53TSHR

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
EP-0677065-B1 EPOXIDIZED BLOCK COPOLYMERS EASTMAN CHEM CO (US) 1997-04-16 EP disclosed
EP-0677065-A1 EPOXIDIZED BLOCK COPOLYMERS. EASTMAN CHEM CO (US) 1995-10-18 EP disclosed
WO-1994015973-A2 EPOXIDIZED BLOCK COPOLYMERS EASTMAN CHEMICAL COMPANY (US) 1994-07-21 WO disclosed