SCHEMBL5138896

SCHEMBL5138896

C=CC(=C)CC(O)CC(C)C.C=CC(=C)C[C@H](O)C=C(C)C

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35

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
SCHEMBL435578 0.86 TSHR (0.45) TSHR
SCHEMBL9629960 0.86 TSHR (0.45) TSHR
SCHEMBL10869508 0.86 TSHR (0.45) TSHR
SCHEMBL854900 0.86 TSHR (0.45) TSHR
SCHEMBL10868575 0.86 ALDH1A1 (0.34) TSHR
SCHEMBL9630938 0.86 ALDH1A1 (0.34) TSHR
SCHEMBL379143 0.86 ALDH1A1 (0.34) TSHR
SCHEMBL9628964 0.86 ALDH1A1 (0.34) TSHR
Methyl Alcohol SCHEMBL29208880 0.84 TSHR (0.43) TSHR
2-Pentanol SCHEMBL13506174 0.77 TSHR (0.35) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080222943-A1 Method for Controlling Bark Beetle Populations by Controlling Bark Beetle Antagonists BASF AKTIENGESELLSCHAFT (DE) 2008-09-18 US disclosed
EP-0909130-A1 PESTICIDE Novartis AG (CH) 1999-04-21 EP disclosed
WO-1997042815-A1 PESTICIDE NOVARTIS AG (CH) 1997-11-20 WO disclosed