SCHEMBL27434699

SCHEMBL27434699

C=C(C)C(=O)OC(C)(C)C(C)(C)C(C)(C)O

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
TSHR P16473 3/20 0.33
THRB P10828 1/20 0.31

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
SCHEMBL1562475 0.86 ALDH1A1 (0.44) ALDH1A1TSHRTHRB
SCHEMBL7717525 0.79 ALDH1A1 (0.46) ALDH1A1TSHRTHRB
SCHEMBL9610644 0.79 ALDH1A1 (0.38) ALDH1A1TSHR
SCHEMBL18770808 0.78 ALDH1A1 (0.41) ALDH1A1TSHRTHRB
SCHEMBL28596026 0.78 ALDH1A1 (0.37) ALDH1A1TSHR
SCHEMBL17300339 0.77 ALDH1A1 (0.44) ALDH1A1TSHRTHRB
SCHEMBL10593835 0.77 GAA (0.41) ALDH1A1TSHR
SCHEMBL168270 0.77 ALDH1A1 (0.48) ALDH1A1TSHRTHRB
SCHEMBL1498046 0.77 ALDH1A1 (0.48) ALDH1A1TSHRTHRB
SCHEMBL10495124 0.76 ALDH1A1 (0.42) 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-20240218241-A1 LUMINESCENT COMPONENT AVANTAMA AG (CH) 2024-07-04 US disclosed