SCHEMBL27419962

SCHEMBL27419962

CC(C)COOCC(C)C.[AlH3]

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
TSHR P16473 3/20 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
SCHEMBL35239 0.96 ALDH1A1 (0.42) ALDH1A1TSHR
Hydrogen Peroxide SCHEMBL28165881 0.88 ALDH1A1 (0.38) ALDH1A1TSHR
SCHEMBL17191432 0.82
SCHEMBL194636 0.80 ALDH1A1 (0.38) ALDH1A1TSHR
SCHEMBL809426 0.77
SCHEMBL27311125 0.77
SCHEMBL6577079 0.75 ALDH1A1 (0.40) ALDH1A1TSHR
SCHEMBL9051298 0.75 LMNA (0.33) ALDH1A1
Tert-Butyl Hydroperoxide SCHEMBL28292820 0.75 ALDH1A1 (0.50) ALDH1A1TSHR
SCHEMBL13841501 0.75

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
CN-1076021-C L-2',3'-dideoxy nucleoside analogs as anti-hepatitis B (HBV) and anti-HIV agents UNIV YALE (US) 2001-12-12 CN disclosed
CN-1100303-A L-2',3'-dideoxy nucleoside analogs as anti-hepatitis B (HBV) and anti-HIV agents UNIV YALE (US) 1995-03-22 CN disclosed