Butadiene

Butadiene

SCHEMBL9360221

C=C(C)C.C=C/C=C/C.C=CC(=C)CC.C=CC=C.CC(C)=C(C)C.CC=C(C)C

nearest known ligand 0.33

Full drug profile on Sugi Atlas →

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 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
Butadiene SCHEMBL9360225 1.00 TSHR (0.33) TSHR
Butadiene SCHEMBL9361121 0.93 TSHR (0.33) TSHR
Butadiene SCHEMBL9361114 0.93 TSHR (0.33) TSHR
SCHEMBL9159679 0.87 TSHR (0.33) TSHR
SCHEMBL7024222 0.85 TSHR (0.33) TSHR
SCHEMBL7024225 0.85 TSHR (0.33) TSHR
Butadiene SCHEMBL8820043 0.83 ALDH1A1 (0.43) TSHR
Butadiene SCHEMBL8820041 0.83 ALDH1A1 (0.43) TSHR
SCHEMBL8731849 0.81 TSHR (0.39) TSHR
SCHEMBL8731847 0.81 TSHR (0.39) TSHR

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
EP-0630278-A1 NON-TOXIC, ENVIRONMENTALLY BENIGN FIRE EXTINGUISHANTS TAG INVESTMENTS INC. (CA) 1994-12-28 EP claimed
WO-1993017758-A1 NON-TOXIC, ENVIRONMENTALLY BENIGN FIRE EXTINGUISHANTS TAG INVESTMENTS INC. (CA) 1993-09-16 WO claimed