SCHEMBL21164033

SCHEMBL21164033

C=C(C)C(=O)OCC1CCC(OC(=O)S)C(O)C1

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.32
THRB P10828 1/20 0.30

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
SCHEMBL21164034 0.85 ALDH1A1 (0.40) ALDH1A1TSHR
SCHEMBL8948457 0.83 ALDH1A1 (0.38) ALDH1A1TSHR
SCHEMBL10065868 0.82 ALDH1A1 (0.38) ALDH1A1
SCHEMBL10033557 0.82 ALDH1A1 (0.38) ALDH1A1TSHRTHRB
SCHEMBL12156915 0.82 ALDH1A1 (0.38) ALDH1A1
SCHEMBL8927037 0.81 ALDH1A1 (0.37) ALDH1A1THRB
SCHEMBL10064107 0.81 ALDH1A1 (0.49) ALDH1A1TSHRTHRB
SCHEMBL28551352 0.80 ALDH1A1 (0.36) ALDH1A1
SCHEMBL23780847 0.79 CHRM2 (0.41)
SCHEMBL4402474 0.79 ALDH1A1 (0.46) ALDH1A1TSHRTHRB

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-10353325-B2 Liquid electrophotographic composition HP INDIGO B.V. (NL) 2019-07-16 US disclosed