SCHEMBL5866014

SCHEMBL5866014

C#CC(O)I.CCOC(C)OCC

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.55
TSHR P16473 1/20 0.33
THRB P10828 1/20 0.32

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
Ether SCHEMBL5865934 0.78 TSHR (0.33) TSHR
Propyne SCHEMBL3878374 0.78 LMNA (0.71) LMNATHRB
SCHEMBL21808999 0.78 LMNA (0.71) LMNATSHRTHRB
Isopropyl Alcohol SCHEMBL5499438 0.77 LMNA (0.80) LMNATSHRTHRB
SCHEMBL433908 0.75 LMNA (0.75) LMNATSHRTHRB
Methyl Alcohol SCHEMBL5434659 0.74 LMNA (0.86) LMNATSHRTHRB
SCHEMBL2094168 0.74 LMNA (1.00) LMNATHRB
SCHEMBL9459 0.74
Butane SCHEMBL6658195 0.73 LMNA (0.63) LMNATHRB
SCHEMBL11769938 0.73 LMNA (0.63) LMNATHRB

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
US-7078049-B2 Ultrafine emulsion containing a haloalkynyl derivative L'OREAL (FR) 2006-07-18 US claimed
US-20030073689-A1 Ultrafine emulsion containing a haloalkynyl derivative L'OREAL (FR) 2003-04-17 US claimed