SCHEMBL7857566

SCHEMBL7857566

C#CC1(O)CCC(C2CCC(O)(C#C)CC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL18922961 0.91 ALDH1A1 (0.36) ALDH1A1
SCHEMBL7023885 0.82 ALDH1A1 (0.34) ALDH1A1
SCHEMBL3613036 0.80
SCHEMBL24150596 0.79 ALDH1A1 (0.43) ALDH1A1
SCHEMBL11985367 0.79 ALDH1A1 (0.43) ALDH1A1
SCHEMBL2033203 0.79 TLR4 (0.34) ALDH1A1
SCHEMBL130928 0.78
SCHEMBL926606 0.75 ALDH1A1 (0.36) ALDH1A1
SCHEMBL12871792 0.74 ALDH1A1 (0.31) ALDH1A1
SCHEMBL927482 0.74 ALDH1A1 (0.36) ALDH1A1

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
US-6303194-B1 USED IN LIQUID-CRYSTAL AND ELECTRO-OPTICAL DISPLAY ELEMENTS MERCK PATENT GESELLSCHAFT (DE) 2001-10-16 US disclosed