SCHEMBL7527281

SCHEMBL7527281

[CH2]C(C)(CCCOCC)OC

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 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
SCHEMBL9316256 0.83 ALDH1A1 (0.32) ALDH1A1
SCHEMBL28743932 0.77
SCHEMBL13195976 0.75 ALDH1A1 (0.36) ALDH1A1
SCHEMBL10290463 0.74 HRH3 (0.43) ALDH1A1
SCHEMBL7057831 0.73 TSHR (0.38)
SCHEMBL10592229 0.71 ALDH1A1 (0.39) ALDH1A1
SCHEMBL14983309 0.70 ALDH1A1 (0.36) ALDH1A1
SCHEMBL5611803 0.70 ALDH1A1 (0.36) ALDH1A1
SCHEMBL18028838 0.70 ALDH1A1 (0.43) ALDH1A1
SCHEMBL11551647 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1187820-A1 SUBSTITUTED UREAS BASF AKTIENGESELLSCHAFT (DE) 2002-03-20 EP disclosed
WO-2001000602-A1 SUBSTITUTED UREAS BASF AKTIENGESELLSCHAFT (DE) 2001-01-04 WO disclosed