Butadiene

Butadiene

SCHEMBL675872

C=CC=C.C=CC=CC(C=Cc1ccccc1)C(=C)C(=O)O

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.42
CYP1A2 P05177 2/20 0.41
HDAC3 O15379 3/20 0.37
HDAC4 P56524 3/20 0.37
HDAC1 Q13547 3/20 0.37
HDAC2 Q92769 3/20 0.37
HDAC8 Q9BY41 3/20 0.37
HDAC6 Q9UBN7 3/20 0.37
ALDH1A1 P00352 3/20 0.37
LMNA P02545 3/20 0.37
HDAC7 Q8WUI4 2/20 0.37
HDAC10 Q969S8 2/20 0.37
HDAC11 Q96DB2 2/20 0.37
HDAC9 Q9UKV0 2/20 0.37
HDAC5 Q9UQL6 2/20 0.37
PLIN1 O60240 2/20 0.37
MAPT P10636 2/20 0.37
RECQL P46063 2/20 0.37
PLIN5 Q00G26 2/20 0.37
ABHD5 Q8WTS1 2/20 0.37

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
SCHEMBL196269 0.98 CYP3A4 (0.43) CYP3A4CYP1A2HDAC3HDAC4HDAC1
SCHEMBL2673413 0.98 CYP3A4 (0.43) CYP3A4CYP1A2HDAC3HDAC4HDAC1
SCHEMBL4250754 0.89 CYP1A2 (0.50) CYP3A4CYP1A2HDAC3HDAC4HDAC1
SCHEMBL10772380 0.84 CYP1A2 (0.50) CYP3A4CYP1A2HDAC3HDAC4HDAC1
SCHEMBL34195 0.83 CYP3A4 (0.41) CYP3A4CYP1A2HDAC3HDAC4HDAC1
SCHEMBL8383869 0.81 HDAC3 (0.52) CYP3A4CYP1A2HDAC3HDAC4HDAC1
SCHEMBL17274471 0.81 CYP3A4 (0.44) CYP3A4CYP1A2HDAC3HDAC4HDAC1
SCHEMBL6686282 0.80 MEN1 (0.42) CYP3A4CYP1A2ALDH1A1LMNAMAPT
Vinyl Chloride SCHEMBL9625391 0.80 LMNA (0.39) CYP3A4CYP1A2ALDH1A1LMNAMAPT
SCHEMBL8675986 0.80 MEN1 (0.47) CYP3A4ALDH1A1LMNAMAPTSMN1; SMN2

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9062200-B2 Polyester blends exhibiting low temperature toughness GRUPO PETROTEMEX, S.A. DE C.V. (MX) 2015-06-23 US disclosed
US-20140357797-A1 POLYESTER BLENDS EXHIBITING LOW TEMPERATURE TOUGHNESS GRUPO PETROTEMEX, S.A. DE C.V. (MX) 2014-12-04 US disclosed
US-8859681-B2 Polyester blends exhibiting low temperature toughness GRUPO PETROTEMEX, S.A. DE C.V. (MX) 2014-10-14 US disclosed
EP-2152805-B1 POLYESTER BLENDS EXHIBITING LOW TEMPERATURE TOUGHNESS GRUPO PETROTEMEX SA DE CV (MX) 2014-05-21 EP disclosed
US-20110318519-A1 POLYESTER BLENDS EXHIBITING LOW TEMPERATURE TOUGHNESS GRUPO PETROTEMEX, S.A. DE C.V. (MX) 2011-12-29 US disclosed
US-8058360-B2 Polyester blends exhibiting low temperature toughness GRUPO PETROTEMEX, S.A. DE C.V. (MX) 2011-11-15 US disclosed
EP-2152805-A2 POLYESTER BLENDS EXHIBITING LOW TEMPERATURE TOUGHNESS Eastman Chemical Company (US) 2010-02-17 EP disclosed
WO-2008153688-A2 POLYESTER BLENDS EXHIBITING LOW TEMPERATURE TOUGHNESS EASTMAN CHEMICAL COMPANY (US) 2008-12-18 WO disclosed
US-20080299344-A1 Polyester blends exhibiting low temperature toughness ALPEK POLYESTER, S.A. DE C.V. (MX) 2008-12-04 US disclosed
WO-2000023520-A1 POLYESTER ARTICLES HAVING IMPROVED IMPACT STRENGTH EASTMAN CHEMICAL COMPANY (US) 2000-04-27 WO disclosed
WO-2000015716-A2 HIGH IMPACT POLYESTER BLENDS EASTMAN CHEMICAL COMPANY (US) 2000-03-23 WO disclosed