SCHEMBL7598260

SCHEMBL7598260

CC(C)(C)CC(CC(C)(C)C)(OO)OO

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.35

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
SCHEMBL75111 0.73 ALDH1A1 (0.41) ALDH1A1TSHR
SCHEMBL13589876 0.69 ALDH1A1 (0.38) ALDH1A1TSHR
Tert-Butyl Hydroperoxide SCHEMBL7633137 0.69 ALDH1A1 (0.53) ALDH1A1TSHR
SCHEMBL5831367 0.67 ALDH1A1 (0.35) ALDH1A1TSHR
Bicarbonate SCHEMBL28613286 0.65 ALDH1A1 (0.33) ALDH1A1TSHR
SCHEMBL8983691 0.65 ALDH1A1 (0.47) ALDH1A1TSHR
SCHEMBL83729 0.64
SCHEMBL3248399 0.63 TSHR (0.43) ALDH1A1TSHR
SCHEMBL2952150 0.63 TSHR (0.32) ALDH1A1TSHR
SCHEMBL25307070 0.61

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
US-8182785-B2 Methods and compositions for generating singlet oxygen NUTECH VENTURES (US) 2012-05-22 US disclosed
US-20100040530-A1 Methods and Compositions for Generating Singlet Oxygen NUTECH VENTURES 2010-02-18 US disclosed