SCHEMBL8317236

SCHEMBL8317236

BOC(C)(C)C(C)(C)OC

nearest known ligand 0.38

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL171508 0.80 ALDH1A1 (0.55) ALDH1A1
SCHEMBL10574474 0.69 ALDH1A1 (0.43) ALDH1A1
SCHEMBL8208648 0.67
SCHEMBL7995892 0.65 ALDH1A1 (0.32) ALDH1A1
SCHEMBL13397357 0.65 ALDH1A1 (0.46) ALDH1A1
SCHEMBL15910079 0.65 ALDH1A1 (0.46) ALDH1A1
SCHEMBL8227457 0.65
SCHEMBL18644469 0.64 ALDH1A1 (0.44) ALDH1A1
SCHEMBL10630 0.64
SCHEMBL12428409 0.64

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2146984-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-05-30 EP disclosed
WO-2010132601-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-11-18 WO disclosed
WO-2004078756-A2 JNK INHIBITORS EISAI CO., LTD. (JP) 2004-09-16 WO disclosed