SCHEMBL3272900

SCHEMBL3272900

CCC(O)(C#CC(O)(CC)C(C)(C)C)C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL12778836 0.92
SCHEMBL4478986 0.80
SCHEMBL1379337 0.77 TSHR (0.30) TSHRTDP1
SCHEMBL8980426 0.77 TSHR (0.30) TSHRTDP1
SCHEMBL127300 0.67 TSHR (0.38) TSHRTDP1ALDH1A1
Alcohol SCHEMBL23162490 0.65
Amylene Hydrate SCHEMBL5548475 0.65
Amylene Hydrate SCHEMBL2013421 0.63 ALDH1A1 (0.54) TSHRTDP1ALDH1A1
Tert-Butanol SCHEMBL474820 0.63
SCHEMBL9930783 0.63

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-1626117-B1 Processing agents and methods for synthetic fibers TAKEMOTO OIL & FAT CO LTD (JP) 2010-06-09 EP disclosed
EP-1626117-A2 Processing agents and methods for synthetic fibers Takemoto Yushi Kabushiki Kaisha (JP) 2006-02-15 EP disclosed