SCHEMBL8968166

SCHEMBL8968166

CCCC(C)(O)CCC(C)CO

nearest known ligand 0.52

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.52

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
SCHEMBL336397 0.82 TSHR (0.44) TSHR
SCHEMBL2395368 0.79 MEN1 (0.35)
SCHEMBL7059882 0.79
SCHEMBL29255967 0.78 TSHR (0.65) TSHR
SCHEMBL26105666 0.78 ACE2 (0.47)
SCHEMBL26105007 0.78 ACE2 (0.47)
SCHEMBL28248475 0.77 TSHR (0.50) TSHR
SCHEMBL18125121 0.77 TSHR (0.48) TSHR
SCHEMBL6231047 0.77 TSHR (0.48) TSHR
Tert-Butanol SCHEMBL10453436 0.77 TSHR (0.79) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0470469-B1 2-Oxa-3-alkoxy-7-hydroxy-bicyclo[2.2.1]heptanes BASF AG (DE) 1996-03-13 EP disclosed
EP-0470469-A1 2-Oxa-3-alkoxy-7-hydroxy-bicyclo[2.2.1]heptanes BASF Aktiengesellschaft (DE) 1992-02-12 EP disclosed