SCHEMBL18944397

SCHEMBL18944397

CCCC(CC)C1OCCO1

nearest known ligand 0.38

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.36

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
SCHEMBL12219410 0.90
SCHEMBL30710203 0.86 THRB (0.48) THRB
SCHEMBL1472438 0.86 THRB (0.48) THRB
SCHEMBL13038050 0.85 THRB (0.30) THRB
SCHEMBL15560285 0.83 THRB (0.42) THRB
SCHEMBL15187792 0.79 THRB (0.36) THRB
SCHEMBL10529314 0.79 THRB (0.36) THRB
SCHEMBL9849473 0.77
SCHEMBL15187790 0.77 ALDH1A1 (0.31) THRB
SCHEMBL11211919 0.76

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
EP-1781661-B1 VASOPRESSIN V1A ANTAGONISTS VANTIA LTD (GB) 2017-06-07 EP disclosed