Butadiene

Butadiene

SCHEMBL9067971

BrC=Cc1ccccc1.C=CC=C

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
MAOB P27338 3/20 0.50
TSHR P16473 1/20 0.50
TRPA1 O75762 3/20 0.42
LMNA P02545 2/20 0.42
NFE2L2 Q16236 2/20 0.42
CYP19A1 P11511 2/20 0.42
MAOA P21397 2/20 0.42
ALOX5 P09917 1/20 0.42
MAPK1 P28482 1/20 0.42
HDAC3 O15379 1/20 0.41
TNKS O95271 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41

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
SCHEMBL1641281 0.89
SCHEMBL331174 0.89
SCHEMBL13704159 0.89
Styrene SCHEMBL9156595 0.87 ALDH1A1 (0.70) ALDH1A1MAOBTSHRTRPA1LMNA
SCHEMBL5022819 0.86 MAOB (0.58) ALDH1A1MAOBTSHRTRPA1LMNA
Phosphine SCHEMBL7763948 0.86 MAOB (0.58) ALDH1A1MAOBTSHRTRPA1LMNA
(Z)-1,2-Diphenylethene SCHEMBL7941728 0.86 MAOB (0.58) ALDH1A1MAOBTSHRTRPA1LMNA
Hydrogen Sulfide SCHEMBL30522465 0.86 MAOB (0.58) ALDH1A1MAOBTSHRTRPA1LMNA
SCHEMBL25233314 0.83 ALDH1A1 (0.50) ALDH1A1MAOBTSHRTRPA1LMNA
Butadiene SCHEMBL9742021 0.81 MAOB (0.78) ALDH1A1MAOBTSHRTRPA1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5545715-A INCLUDING BROMINE-CONTAINING COPOLYMER, FLAME-RETARDING ADJUVANT, POLYSILOXANE-REINFORCED RESIN; NONDRIPPING JAPAN SYNTHETIC RUBBER CO. LTD. (JP) 1996-08-13 US claimed
EP-2448975-B1 BROMINATED AND EPOXIDIZED FLAME RETARDANTS DDP SPECIALTY ELECTRONIC MATERIALS US LLC (US) 2021-08-11 EP disclosed
CN-106133012-A Modified conjugated diolefin polymer, comprise the modified rubber composition of this polymer and the preparation method of the conjugated diolefin polymer of modification LG化学株式会社 2016-11-16 CN disclosed
US-5545715-A INCLUDING BROMINE-CONTAINING COPOLYMER, FLAME-RETARDING ADJUVANT, POLYSILOXANE-REINFORCED RESIN; NONDRIPPING JAPAN SYNTHETIC RUBBER CO. LTD. (JP) 1996-08-13 US disclosed
EP-0578873-B1 Flame-retardant resin composition DSM NV (NL) 1995-12-06 EP disclosed
EP-0578873-A1 Flame-retardant resin composition DSM N.V. (NL) 1994-01-19 EP disclosed
EP-0555386-A1 COMPOSITE MATERIALS INCLUDING FLAME RETARDANT BROMINATED STYRENE-BASED COATINGS GREAT LAKES CHEMICAL CORPORATION (US) 1993-08-18 EP disclosed
EP-0535077-A1 FLAME RETARDANT BROMINATED STYRENE-BASED POLYMERS GREAT LAKES CHEMICAL CORPORATION (US) 1993-04-07 EP disclosed
WO-1992007915-A1 COMPOSITE MATERIALS INCLUDING FLAME RETARDANT BROMINATED STYRENE-BASED COATINGS GREAT LAKES CHEMICAL CORPORATION (US) 1992-05-14 WO disclosed
US-5100986-A FLAME RETARDANT BROMINATED STYRENE-BASED COATINGS GREAT LAKES CHEMICAL CORPORATION (US) 1992-03-31 US disclosed
WO-1991019748-A1 FLAME RETARDANT BROMINATED STYRENE-BASED POLYMERS GREAT LAKES CHEMICAL CORPORATION (US) 1991-12-26 WO disclosed
US-5066752-A FLAME RETARDANT BROMINATED STYRENE-BASED POLYMERS GREAT LAKES CHEMICAL CORPORATION (US) 1991-11-19 US disclosed