Butadiene

Butadiene

SCHEMBL545688

C=CC=C.C=CC=C.OCCO

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50

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 SCHEMBL5967512 1.00 TSHR (0.50) TSHR
Butadiene SCHEMBL27653 1.00
Butadiene SCHEMBL18035811 0.88 TSHR (0.39) TSHR
Benzene SCHEMBL640720 0.88 TSHR (0.39) TSHR
Butadiene SCHEMBL8154680 0.88 TSHR (0.39) TSHR
1,4-Butanediol SCHEMBL1538425 0.82 SMN1; SMN2 (0.41) TSHR
Ethylene Glycol SCHEMBL634056 0.80
Acrolein SCHEMBL22718869 0.79
Ethylene Glycol SCHEMBL622577 0.76 TSHR (0.46) TSHR
Ethylene Glycol SCHEMBL3200076 0.76 TSHR (0.46) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9120932-B2 Ink set and ink jet recording method using the ink set SEIKO EPSON CORPORATION (JP) 2015-09-01 US disclosed
US-20120075380-A1 INK SET AND INK JET RECORDING METHOD USING THE INK SET SEIKO EPSON CORPORATION 2012-03-29 US disclosed
US-8110033-B2 Ink composition for ink jet recording SEIKO EPSON CORPORATION (JP) 2012-02-07 US disclosed
US-8021472-B2 Ink composition for ink jet recording SEIKO EPSON CORPORATION (JP) 2011-09-20 US disclosed
EP-2343347-A1 INK COMPOSITION FOR INKJET RECORDING PURPOSES Seiko Epson Corporation (JP) 2011-07-13 EP disclosed
US-20100086685-A1 INK COMPOSITION FOR INK JET RECORDING SEIKO EPSON CORPORATION 2010-04-08 US disclosed
US-20090176071-A1 INK COMPOSITION FOR INK JET RECORDING SEIKO EPSON CORPORATION (JP) 2009-07-09 US disclosed