SCHEMBL20072016

SCHEMBL20072016

O=C1CC2(CCCCC3(CCC2)CC(=O)OC(=O)C3)CC(=O)O1

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL194872 0.97 TSHR (0.38) TSHRSMN1; SMN2
SCHEMBL2761366 0.97 TSHR (0.38) TSHR
SCHEMBL7338345 0.95 TSHR (0.36) TSHRSMN1; SMN2
SCHEMBL11626081 0.95 TSHR (0.36) TSHRSMN1; SMN2
SCHEMBL395804 0.95 TSHR (0.36) TSHRSMN1; SMN2
SCHEMBL286913 0.86 TSHR (0.42) TSHR
SCHEMBL16379395 0.81
SCHEMBL2915774 0.80 TSHR (0.47) TSHR
SCHEMBL16227572 0.80 TSHR (0.40) TSHR
SCHEMBL28735623 0.78 ALDH1A1 (0.36) TSHR

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-20180104638-A1 COMPOSITION AND SYSTEM FOR GAS STORAGE COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH OR GANISATION (AU) 2018-04-19 US disclosed