SCHEMBL10939632

SCHEMBL10939632

C=CO.C=CO.C=COC(C)=O

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL393407 1.00
Ethylene SCHEMBL8658718 0.97 ALDH1A1 (0.38) ALDH1A1TSHRHSD17B10TDP1
Ethylene SCHEMBL272954 0.97 ALDH1A1 (0.38) ALDH1A1TSHRHSD17B10TDP1
Hydrochloric Acid SCHEMBL7869888 0.97 ALDH1A1 (0.38) ALDH1A1TSHRHSD17B10TDP1
SCHEMBL1438 0.94
SCHEMBL7529535 0.94 ALDH1A1 (0.44) ALDH1A1TSHRHSD17B10TDP1
SCHEMBL18797853 0.92 ALDH1A1 (0.36) ALDH1A1TSHRHSD17B10TDP1
SCHEMBL2441130 0.92 ALDH1A1 (0.35) ALDH1A1TSHRHSD17B10TDP1
Vinyl Chloride SCHEMBL338690 0.92 ALDH1A1 (0.35) ALDH1A1TSHRHSD17B10TDP1
Vinyl Chloride SCHEMBL7576429 0.92 ALDH1A1 (0.35) ALDH1A1TSHRHSD17B10TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0063192-B1 PROCESS FOR THE PRODUCTION OF FUEL COMPOSITIONS AND FUEL COMPOSITIONS THEREBY PRODUCED MARUZEN OIL CO., LTD. (JP) 1985-11-06 EP claimed
US-4455149-A Process for the production of fuel compositions MARUZEN OIL CO., LTD. (JP) 1984-06-19 US claimed
EP-0063192-A1 Process for the production of fuel compositions and fuel compositions thereby produced MARUZEN OIL CO., LTD. (JP) 1982-10-27 EP claimed
EP-0063192-B1 PROCESS FOR THE PRODUCTION OF FUEL COMPOSITIONS AND FUEL COMPOSITIONS THEREBY PRODUCED MARUZEN OIL CO., LTD. (JP) 1985-11-06 EP disclosed
US-4455149-A Process for the production of fuel compositions MARUZEN OIL CO., LTD. (JP) 1984-06-19 US disclosed
EP-0063192-A1 Process for the production of fuel compositions and fuel compositions thereby produced MARUZEN OIL CO., LTD. (JP) 1982-10-27 EP disclosed