SCHEMBL7370191

SCHEMBL7370191

CC(C)(C=NO)C(F)C(=O)O

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 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
SCHEMBL3520756 0.68 TSHR (0.37) ALDH1A1
SCHEMBL7279241 0.68
SCHEMBL1708138 0.66
SCHEMBL27742869 0.66
SCHEMBL27601379 0.66
SCHEMBL28976446 0.64 ALDH1A1 (0.33) ALDH1A1
SCHEMBL10475328 0.64
SCHEMBL16554790 0.64 ALDH1A1 (0.38) ALDH1A1
Carbamic Acid SCHEMBL11289777 0.62 ACHE (0.37) ALDH1A1
Carbamic Acid SCHEMBL11289771 0.62 ACHE (0.37) ALDH1A1

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-1028716-A1 METHOD FOR TREATING AND PREVENTING HEART FAILURE AND VENTRICULAR DILATATION WARNER-LAMBERT COMPANY (US) 2000-08-23 EP disclosed
WO-1998025597-A2 METHOD FOR TREATING AND PREVENTING HEART FAILURE AND VENTRICULAR DILATATION WARNER-LAMBERT COMPANY (US) 1998-06-18 WO disclosed