SCHEMBL7964537

SCHEMBL7964537

C=CC(=O)OC1(C(C)C)CCCC(C)C1

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.36
TSHR P16473 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
SCHEMBL4400982 0.91 TSHR (0.33) TSHR
SCHEMBL15402843 0.86 CYP1A2 (0.33) CYP1A2
SCHEMBL4807624 0.81 TSHR (0.34) TSHR
SCHEMBL27814124 0.81 CYP1A2 (0.40) CYP1A2
SCHEMBL263898 0.81 TSHR (0.38) TSHR
SCHEMBL8966109 0.79 CYP1A2 (0.36) CYP1A2TSHR
SCHEMBL684980 0.79 TSHR (0.37) TSHR
SCHEMBL684954 0.79 TSHR (0.37) TSHR
SCHEMBL686092 0.79 TSHR (0.37) TSHR
SCHEMBL28005450 0.79 CYP1A2 (0.38) CYP1A2

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-6280897-B1 GENERATION OF ACID WITH ACTINIC RADIATION KABUSHIKI KAISHA TOSHIBA (JP) 2001-08-28 US disclosed