Sugi Predict

Sugi Predict / Compounds / Butadiene

Butadiene

Butadiene

SCHEMBL8095007

C=CC=C.C=Cc1ccc(C=C)cc1

nearest known ligand 0.85

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.85
▸ TSHR P16473 1/20 0.59
▸ TDP1 Q9NUW8 2/20 0.48
▸ HDAC8 Q9BY41 2/20 0.48
▸ TP53 P04637 1/20 0.38
▸ TRPA1 O75762 1/20 0.36
▸ CHRNB2 P17787 1/20 0.35
▸ CHRNB4 P30926 1/20 0.35
▸ CHRNA3 P32297 1/20 0.35
▸ CHRNA7 P36544 1/20 0.35
▸ CHRNA4 P43681 1/20 0.35
▸ TAS1R3 Q7RTX0 1/20 0.32
▸ TAS1R1 Q7RTX1 1/20 0.32
▸ DAPK3 O43293 1/20 0.31
▸ JAK2 O60674 1/20 0.31
▸ ABL1 P00519 1/20 0.31
▸ NTRK1 P04629 1/20 0.31
▸ FYN P06241 1/20 0.31
▸ CSF1R P07333 1/20 0.31
▸ RET P07949 1/20 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
SCHEMBL7639 0.92 ALDH1A1 (1.00) ALDH1A1TSHRTDP1HDAC8TP53
SCHEMBL473081 0.92 ALDH1A1 (1.00) ALDH1A1TSHRTDP1HDAC8TP53
Ammonia Solution, Strong SCHEMBL28837807 0.88 ALDH1A1 (0.92) ALDH1A1TSHRTDP1HDAC8TP53
SCHEMBL29229894 0.88 ALDH1A1 (0.92) ALDH1A1TSHRTDP1HDAC8TP53
SCHEMBL10426886 0.88 ALDH1A1 (0.92) ALDH1A1TSHRTDP1HDAC8TP53
Hydrochloric Acid SCHEMBL23581954 0.88 ALDH1A1 (0.92) ALDH1A1TSHRTDP1HDAC8TP53
Water SCHEMBL20378930 0.88 ALDH1A1 (0.92) ALDH1A1TSHRTDP1HDAC8TP53
Ethylene SCHEMBL7955374 0.88 ALDH1A1 (0.92) ALDH1A1TSHRTDP1HDAC8TP53
SCHEMBL22496003 0.88 ALDH1A1 (0.92) ALDH1A1TSHRTDP1HDAC8TP53
SCHEMBL6935569 0.88 ALDH1A1 (0.92) ALDH1A1TSHRTDP1HDAC8TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5880204-A COATING COMPOSITION COMPRISING AQUEOUS DISPERSION OF PARTICLES COMPRISING SEMI-CRYSTALLINE FIRST COPOLYMER ENVELOPED BY AMORPHOUS SECOND COPOLYMER ALLIEDSIGNAL INC. (US) 1999-03-09 — — US claimed
CN-110352382-A Liquid crystal cell and its manufacturing method JSR株式会社 2019-10-18 — — CN disclosed
CN-109863431-A Phase difference film, its manufacturing method, polarizing film and display device 日本瑞翁株式会社 2019-06-07 — — CN disclosed
CN-109844629-A LIQUID CRYSTAL ALIGNING AGENT, LIQUID CRYSTAL ALIGNMENT FILM, LIQUID CRYSTAL ELEMENT AND POLYMER JSR株式会社 2019-06-04 — — CN disclosed
CN-109844628-A Liquid crystal aligning agent, liquid crystal alignment film, liquid crystal element and polymer JSR株式会社 2019-06-04 — — CN disclosed
CN-109844627-A Aligning agent for liquid crystal, liquid crystal orientation film and liquid crystal cell JSR株式会社 2019-06-04 — — CN disclosed
CN-107207681-A Low-temperature setting section repair materials and the section restorative procedure using the low-temperature setting section repair materials 昭和电工株式会社 2017-09-26 — — CN disclosed
CN-105733611-A Liquid crystal alignment agent, method for manufacturing liquid crystal element, liquid crystal alignment film, liquid crystal element and compound JSR株式会社 2016-07-06 — — CN disclosed
EP-0868450-B1 ROOM TEMPERATURE COALESCABLE AQUEOUS FLUOROPOLYMER DISPERSIONS AND METHOD FOR THEIR MANUFACTURE HONEYWELL INT INC (US) 2000-11-29 — — EP disclosed
US-5880204-A COATING COMPOSITION COMPRISING AQUEOUS DISPERSION OF PARTICLES COMPRISING SEMI-CRYSTALLINE FIRST COPOLYMER ENVELOPED BY AMORPHOUS SECOND COPOLYMER ALLIEDSIGNAL INC. (US) 1999-03-09 — — US disclosed