SCHEMBL9816748

SCHEMBL9816748

OCC(CO)(CO)CCCCCC(CO)(CO)CO

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
TSHR P16473 2/20 0.39

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
SCHEMBL1226248 1.00 ALDH1A1 (0.39) ALDH1A1TSHR
SCHEMBL31182045 0.96 ALDH1A1 (0.41) ALDH1A1TSHR
SCHEMBL2418354 0.90 ALDH1A1 (0.38) ALDH1A1TSHR
SCHEMBL7599321 0.88 ALDH1A1 (0.41) ALDH1A1TSHR
SCHEMBL8988160 0.87 ALDH1A1 (0.32) ALDH1A1TSHR
SCHEMBL8573752 0.87 ALDH1A1 (0.32) ALDH1A1TSHR
SCHEMBL4318074 0.86 ALDH1A1 (0.35) ALDH1A1TSHR
SCHEMBL7796670 0.85 LMNA (0.48) ALDH1A1TSHR
SCHEMBL2109769 0.85 LMNA (0.48) ALDH1A1TSHR
SCHEMBL9098253 0.85 LMNA (0.48) ALDH1A1TSHR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3135933-A None JP disclosed
JP-3135933-A None JP disclosed
JP-H03135933-A 1,1,1,7,7,7-HEXAMETHYLOLHEPTANE KURARAY CO LTD 1991-06-10 JP disclosed
JP-H03135933-A 1,1,1,7,7,7-HEXAMETHYLOLHEPTANE KURARAY CO LTD 1991-06-10 JP disclosed