SCHEMBL5594478

SCHEMBL5594478

CCCC(C)C(CCC)CC(C)CC(C)C

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
METAP1 P53582 1/20 0.30

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
SCHEMBL10834818 0.85 TSHR (0.44) TSHRMETAP1
SCHEMBL5594760 0.76 ACE2 (0.41) TSHR
SCHEMBL3456086 0.74 TSHR (0.46) TSHR
SCHEMBL316818 0.74 TSHR (0.46) TSHR
SCHEMBL3456662 0.74 TSHR (0.46) TSHR
SCHEMBL3455234 0.74 TSHR (0.46) TSHR
SCHEMBL3455995 0.74 TSHR (0.46) TSHR
SCHEMBL26128817 0.73
SCHEMBL93159 0.73
SCHEMBL23032033 0.71 METAP1 (0.34) TSHRMETAP1

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-1858480-A1 COSMETIC COMPOSITIONS CONTAINING ESTERS BASED ON 2-PROPYLHEPTANOL Cognis IP Management GmbH (DE) 2007-11-28 EP disclosed
WO-2006097235-A1 COSMETIC COMPOSITIONS CONTAINING ESTERS BASED ON 2-PROPYLHEPTANOL COGNIS IP MANAGEMENT GMBH (DE) 2006-09-21 WO disclosed