SCHEMBL9514447

SCHEMBL9514447

[CH2]COC(=O)OC(C)OCC

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
ALDH1A1 P00352 2/20 0.36
SOAT1 P35610 1/20 0.33
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL1469220 0.85 ALDH1A1 (0.52) LMNAALDH1A1SOAT1HSD17B10
SCHEMBL1470143 0.83 LMNA (0.55) LMNAALDH1A1SOAT1HSD17B10
SCHEMBL1557155 0.79 TDP1 (0.39) LMNAALDH1A1SOAT1
SCHEMBL9514418 0.79
SCHEMBL7710806 0.79 LMNA (0.46) LMNAALDH1A1SOAT1
SCHEMBL1471511 0.79 LMNA (0.50) LMNAALDH1A1SOAT1
SCHEMBL8682742 0.79 LMNA (0.50) LMNAALDH1A1SOAT1
SCHEMBL1470318 0.77 ALDH1A1 (0.45) LMNAALDH1A1
SCHEMBL312746 0.76
SCHEMBL1361464 0.75 MAPT (0.36) ALDH1A1SOAT1

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-0392358-B1 Marine blue and black dyestuff mixtures BASF AG (DE) 1993-12-01 EP disclosed
US-5162045-A Azo Dyes with a Cyanothiophene Group BASF AKTIENGESELLSCHAFT (DE) 1992-11-10 US disclosed
US-4999026-A Transferring dyes for thermal printing: tri-cyano-vinyl aniline dyes BASF AKTIENGESELLSCHAFT (DE) 1991-03-12 US disclosed
EP-0258856-B1 DYE TRANSFER METHOD BASF Aktiengesellschaft (DE) 1990-11-14 EP disclosed
EP-0392358-A1 Marine blue and black dyestuff mixtures BASF Aktiengesellschaft (DE) 1990-10-17 EP disclosed
EP-0258856-A2 Dye transfer method BASF Aktiengesellschaft (DE) 1988-03-09 EP disclosed