Butadiene

Butadiene

SCHEMBL28113500

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nearest known ligand 0.38

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Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 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 SCHEMBL27716785 1.00 ALDH1A1 (0.38) ALDH1A1TSHRTDP1
Propene SCHEMBL27279573 0.92
Propene SCHEMBL27358161 0.92 ALDH1A1 (0.43) ALDH1A1TSHRTDP1
Benzene SCHEMBL28079810 0.90 ALDH1A1 (0.32) ALDH1A1TSHR
Propene SCHEMBL27569505 0.88
Butadiene SCHEMBL27425173 0.88
Acrylonitrile SCHEMBL27795459 0.81 ALDH1A1 (0.64) ALDH1A1TSHR
Propene SCHEMBL28249977 0.80
Propene SCHEMBL28258753 0.80
Ethylene Glycol SCHEMBL28872165 0.79 TSHR (0.33) ALDH1A1TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106226999-A A kind of method at the rapidly coating photoresists in half tone surface 村上精密制版(昆山)有限公司 2016-12-14 CN disclosed