SCHEMBL8914569

SCHEMBL8914569

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

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL270315 0.96 TSHR (0.42) TSHRALDH1A1
SCHEMBL11802483 0.92 TSHR (0.39) TSHRALDH1A1
SCHEMBL11805723 0.92 TSHR (0.39) TSHRALDH1A1
SCHEMBL11125870 0.87
SCHEMBL27553112 0.87 TSHR (0.48) TSHRALDH1A1
SCHEMBL20364 0.87
SCHEMBL10762910 0.87
SCHEMBL4096632 0.85 TSHR (0.46) TSHRALDH1A1
Ethylene SCHEMBL8934253 0.85 TSHR (0.46) TSHRALDH1A1
Acetone SCHEMBL8653588 0.85 TSHR (0.46) TSHRALDH1A1

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-5612218-A Method of handling biologic matter and means for carrying out the method BUSCH CHRISTER (SE) 1997-03-18 US disclosed