SCHEMBL9577201

SCHEMBL9577201

C=C(C)C(=O)OCC(C)CC(C)CC(C)OC(=O)C(=C)C

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.55
THRB P10828 1/20 0.36
ALDH1A1 P00352 2/20 0.34

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
SCHEMBL8965845 0.97 TSHR (0.58) TSHRTHRBALDH1A1
SCHEMBL31059270 0.88 TSHR (0.69) TSHRTHRBALDH1A1
SCHEMBL1483913 0.84 TSHR (0.66) TSHRTHRBALDH1A1
SCHEMBL160208 0.82 TSHR (0.73) TSHRTHRBALDH1A1
SCHEMBL8965528 0.81 TSHR (0.56) TSHRTHRBALDH1A1
SCHEMBL23494026 0.81 TSHR (0.60) TSHRTHRBALDH1A1
SCHEMBL489030 0.81 TSHR (0.60) TSHRTHRBALDH1A1
Ethylene SCHEMBL2156738 0.80 TSHR (0.70) TSHRTHRBALDH1A1
Water SCHEMBL7715061 0.80 TSHR (0.70) TSHRTHRBALDH1A1
SCHEMBL11749779 0.80 TSHR (0.70) TSHRTHRBALDH1A1

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-5264513-A Dental adhesive KABUSHIKI KAISHA SHOFU (JP) 1993-11-23 US disclosed