SCHEMBL13458458

SCHEMBL13458458

C=C(C)C(=O)OC1CC[C@H](C)C(C)C1

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
THRB P10828 1/20 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
SCHEMBL23494029 1.00 ALDH1A1 (0.35) ALDH1A1THRB
SCHEMBL23494384 0.88 ALDH1A1 (0.41) ALDH1A1THRB
SCHEMBL27695953 0.84 ALDH1A1 (0.32) ALDH1A1
SCHEMBL9861731 0.83 CYP19A1 (0.42) ALDH1A1THRB
SCHEMBL342182 0.82 ALDH1A1 (0.46) ALDH1A1THRB
SCHEMBL372980 0.82 ALDH1A1 (0.46) ALDH1A1THRB
SCHEMBL25278 0.82
SCHEMBL27715814 0.82 THRB (0.34) ALDH1A1THRB
SCHEMBL17614044 0.81 ALDH1A1 (0.38) ALDH1A1THRB
SCHEMBL9970229 0.81 ALDH1A1 (0.38) ALDH1A1THRB

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-20100055621-A1 Patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2010-03-04 US disclosed