SCHEMBL8519925

SCHEMBL8519925

C=C(C)C(=O)OC(C)(N(CC)CC)N(CC)CC

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
THRB P10828 1/20 0.37
TSHR P16473 3/20 0.36

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
SCHEMBL9576650 0.84 ALDH1A1 (0.38) ALDH1A1THRBTSHR
SCHEMBL11416647 0.77 ALDH1A1 (0.35) ALDH1A1THRBTSHR
SCHEMBL8471606 0.77 ALDH1A1 (0.42) ALDH1A1THRBTSHR
SCHEMBL23494017 0.73 ALDH1A1 (0.39) ALDH1A1THRBTSHR
SCHEMBL8063514 0.73 THRB (0.43) ALDH1A1THRBTSHR
SCHEMBL9576717 0.73 ALDH1A1 (0.35) ALDH1A1THRBTSHR
Bromide SCHEMBL28380685 0.73 THRB (0.47) ALDH1A1THRBTSHR
SCHEMBL2234565 0.72 ALDH1A1 (0.42) ALDH1A1THRBTSHR
SCHEMBL1108024 0.72 TSHR (0.43) ALDH1A1THRBTSHR
Alcohol SCHEMBL28190975 0.72 ALDH1A1 (0.42) ALDH1A1THRBTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5972553-A A DEVELOPER MIXTURES COMPRISING POLYMER COMPONENTS, A COLORANT, A WAX AND A CHARGE-CONTROLLING AGENT FOR LOW-TEMPERATURE FIXABILITY, ANTI-OFFSET CHARACTERISTIC, A STABLE CHARGEABILITY AND FREENESS FROM SLEEVE GHOST PHENOMENON CANON KABUSHIKI KAISHA (JP) 1999-10-26 US disclosed