Butadiene Epoxide

Butadiene Epoxide

SCHEMBL3414472

C=CC1CO1.CCCCCCCCCCC1CO1

nearest known ligand 0.70

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.70
▸ EPHX1 P07099 1/20 0.50
▸ TDP1 Q9NUW8 2/20 0.48
▸ TSHR P16473 1/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ SPHK1 Q9NYA1 4/20 0.38
▸ SPHK2 Q9NRA0 3/20 0.38
▸ PRKD3 O94806 2/20 0.37
▸ PRKCG P05129 2/20 0.37
▸ PRKCB P05771 2/20 0.37
▸ PRKCA P17252 2/20 0.37
▸ PRKCH P24723 2/20 0.37
▸ PRKCI P41743 2/20 0.37
▸ PRKCE Q02156 2/20 0.37
▸ PRKCQ Q04759 2/20 0.37
▸ PRKCZ Q05513 2/20 0.37
▸ PRKCD Q05655 2/20 0.37
▸ PRKD1 Q15139 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ ENPP2 Q13822 1/20 0.35

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
Propene SCHEMBL28084431 0.86 ALDH1A1 (0.79) ALDH1A1EPHX1TDP1TSHRCYP1A2
SCHEMBL6673883 0.85 ALDH1A1 (0.70) ALDH1A1EPHX1TDP1TSHRENPP2
SCHEMBL9132384 0.85 ALDH1A1 (0.70) ALDH1A1EPHX1TDP1TSHRENPP2
SCHEMBL5505454 0.85 ALDH1A1 (0.70) ALDH1A1EPHX1TDP1TSHRENPP2
Ethylene SCHEMBL28191084 0.84 ALDH1A1 (0.91) ALDH1A1EPHX1TDP1TSHRCYP1A2
SCHEMBL23495987 0.84 ALDH1A1 (1.00) ALDH1A1EPHX1TDP1TSHRCYP1A2
SCHEMBL11774912 0.84 ALDH1A1 (1.00) ALDH1A1EPHX1TDP1TSHRCYP1A2
SCHEMBL7636660 0.84 ALDH1A1 (1.00) ALDH1A1EPHX1TDP1TSHRCYP1A2
SCHEMBL2373485 0.84 ALDH1A1 (1.00) ALDH1A1EPHX1TDP1TSHRCYP1A2
SCHEMBL284300 0.84 ALDH1A1 (1.00) ALDH1A1EPHX1TDP1TSHRCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130135384-A1 PHOTOCURABLE INK COMPOSITION FOR INK JET RECORDING SEIKO ESPON CORPORATION (JP) 2013-05-30 — — US disclosed
US-20100036036-A1 PHOTOCURABLE INK COMPOSITION FOR INK JET RECORDING SEIKO EPSON CORPORATION 2010-02-11 — — US disclosed
EP-0846681-A1 NOVEL SULFONIUM SALT COMPOUNDS, POLYMERIZATION INITIATOR, CURABLE COMPOSITION, AND CURING METHOD NIPPON SODA CO., LTD. (JP) 1998-06-10 — — EP disclosed
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