Butadiene

Butadiene

SCHEMBL11319000

C=C(C=CC(=O)O)C(=O)OCCCC.C=CC=C

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 5/20 0.57
TSHR P16473 4/20 0.47
HPGD P15428 1/20 0.47
ATM Q13315 1/20 0.46
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 2/20 0.33
NAAA Q02083 1/20 0.33
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL1078981 0.95 HCAR2 (0.62) HCAR2TSHRHPGDATMALDH1A1
Acrylic Acid SCHEMBL10629796 0.94 HCAR2 (0.57) HCAR2TSHRHPGDATMALDH1A1
1,1-Dichloroethene SCHEMBL7547901 0.90 HCAR2 (0.57) HCAR2TSHRHPGDATMALDH1A1
SCHEMBL5146107 0.90 HCAR2 (0.64) HCAR2TSHRHPGDATMALDH1A1
Methacrylic Acid SCHEMBL794956 0.89 HCAR2 (0.56) HCAR2TSHRHPGDATMALDH1A1
Methacrylic Acid SCHEMBL11767245 0.89 HCAR2 (0.49) HCAR2TSHRHPGDATMALDH1A1
SCHEMBL10939210 0.89 HCAR2 (0.65) HCAR2TSHRHPGDATMALDH1A1
SCHEMBL2133445 0.89 HCAR2 (0.65) HCAR2TSHRHPGDATMALDH1A1
SCHEMBL8029458 0.89 HCAR2 (0.65) HCAR2TSHRHPGDATMALDH1A1
SCHEMBL8639870 0.89 HCAR2 (0.65) HCAR2TSHRHPGDATMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4304850-A CONJUGATED DIENE-UNSATURATED ACID INTERPOLYMER LATEX KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1981-12-08 US disclosed
US-4275142-A CONJUGATED DIOLEFIN-ACRYLIC ACID OR ANHYDRIDE COPOLYMER, PHOTOSENSITIZER JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1981-06-23 US disclosed