SCHEMBL1019318

SCHEMBL1019318

CCOC[CH]CCOCC

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.32

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
SCHEMBL9697607 0.87 ALDH1A1 (0.35) ALDH1A1
SCHEMBL979514 0.85 ALDH1A1 (0.45) ALDH1A1TSHR
SCHEMBL915207 0.84
SCHEMBL5867193 0.84
SCHEMBL9599211 0.84 ALDH1A1 (0.54) ALDH1A1TSHR
SCHEMBL9679541 0.82 ALDH1A1 (0.31) ALDH1A1TSHR
SCHEMBL10413388 0.82 ALDH1A1 (0.31) ALDH1A1TSHR
SCHEMBL7642372 0.82 ALDH1A1 (0.31) ALDH1A1TSHR
SCHEMBL5960835 0.80 TSHR (0.40) ALDH1A1TSHR
SCHEMBL1987431 0.80

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-2271219-A1 USE OF DITHIIN TETRACARBOXIMIDES FOR TREATING PHYTOPATHOGENIC FUNGI Bayer CropScience AG (DE) 2011-01-12 EP disclosed
WO-2010043319-A1 USE OF DITHIIN TETRACARBOXIMIDES FOR TREATING PHYTOPATHOGENIC FUNGI BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2010-04-22 WO disclosed
US-5919928-A Phenanthridine derivatives and metal complexes thereof used for transparent recording medium or optical recording medium NIPPON PAPER INDUSTRIES, CO., LTD. (JP) 1999-07-06 US disclosed
US-5892042-A OPTICAL RECORDING MEDIA WITH ACRIDINE DYES ON TRANSPARENT SUBSTRATE NIPPON PAPER INDUSTRIES CO., LTD. (JP) 1999-04-06 US disclosed
US-5792863-A HAVING LARGE ABSORPTION IN NEAR INFRARED, REDUCED ABSORPTION IN VISIBLE RANGE NIPPON PAPER INDUSTRIES CO., LTD. (JP) 1998-08-11 US disclosed
US-5116402-A HERBICIDAL COMPOSITION CONTAINING DIOXOLANE, DIOXANE, OR DIOXEPANE DERIVATIVES AS ANTIDOTE MAGYAR TUDOMANVOS AKADEMIA KOZPONTI KEMIAI KUTATO INTEZETE NITROKEMIA INARTELENEK FUZFOGYARTELEP (HU) 1992-05-26 US disclosed