Butadiene

Butadiene

SCHEMBL8763335

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

nearest known ligand 0.42

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP3A4 P08684 2/20 0.42
ALOX15 P16050 1/20 0.40
ALDH1A1 P00352 5/20 0.39
TSHR P16473 4/20 0.39
TP53 P04637 2/20 0.39
MAOB P27338 1/20 0.38
CYP2C19 P33261 1/20 0.37
LMNA P02545 2/20 0.36
HDAC3 O15379 1/20 0.36
TNKS O95271 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36

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
SCHEMBL1273627 0.96 GLA (0.45) GLATDP1CYP3A4ALOX15ALDH1A1
SCHEMBL1273628 0.96 GLA (0.45) GLATDP1CYP3A4ALOX15ALDH1A1
SCHEMBL5446359 0.96 GLA (0.45) GLATDP1CYP3A4ALOX15ALDH1A1
Styrene SCHEMBL18132349 0.95 ALDH1A1 (0.48) GLATDP1CYP3A4ALOX15ALDH1A1
SCHEMBL9978675 0.94 GLA (0.44) GLATDP1CYP3A4ALOX15ALDH1A1
Styrene SCHEMBL8571036 0.91 ALDH1A1 (0.52) GLATDP1CYP3A4ALOX15ALDH1A1
Acrylic Acid SCHEMBL17746676 0.89 GLA (0.48) GLATDP1CYP3A4ALOX15ALDH1A1
Butadiene SCHEMBL2365621 0.88 ALDH1A1 (0.48) GLATDP1CYP3A4ALDH1A1TSHR
SCHEMBL1018838 0.87 CYP3A4 (0.39) GLATDP1CYP3A4ALOX15ALDH1A1
SCHEMBL1852838 0.86 GLA (0.50) GLATDP1CYP3A4ALOX15ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0349195-B1 Direct synthesis by cationic polymerization of nitrogen-containing polymers EXXON CHEMICAL PATENTS INC (US) 1997-05-21 EP disclosed
US-5629394-A ENDCAPPING ADDITION POLYMERS WITH NITROGEN FUNCTIONAL GROUPS WHICH CAN BE FURTHER DERIVATIZED EXXON CHEMICAL PATENTS INC (US) 1997-05-13 US disclosed
EP-0674663-A1 DIRECT SYNTHESIS BY LIVING CATIONIC POLYMERIZATION OF NITROGEN-CONTAINING POLYMERS EXXON CHEMICAL PATENTS INC. (US) 1995-10-04 EP disclosed
US-5444135-A Polymerization and functionalization with nitrogen-containing functional groups occur simultaneously EXXON CHEMICAL PATENTS INC. (US) 1995-08-22 US disclosed
US-5336745-A Terminally-substituted polymeric compositions from cationically polymerizable monomers and initiators EXXON CHEMICAL PATENTS INC. (US) 1994-08-09 US disclosed
WO-1994013706-A1 DIRECT SYNTHESIS BY LIVING CATIONIC POLYMERIZATION OF NITROGEN-CONTAINING POLYMERS EXXON CHEMICAL PATENTS INC. (US) 1994-06-23 WO disclosed
US-5032653-A Catalysts EXXON CHEMICAL PATENTS, INC. (US) 1991-07-16 US disclosed
EP-0349195-A2 Direct synthesis by cationic polymerization of nitrogen-containing polymers EXXON CHEMICAL PATENTS INC. (US) 1990-01-03 EP disclosed