SCHEMBL21096313

SCHEMBL21096313

CC(C)(C)CCC(CO)(CO)CCO

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.30
TSHR P16473 2/20 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
SCHEMBL409753 0.82 TSHR (0.41) ALDH1A1TSHR
SCHEMBL18646930 0.80
SCHEMBL18646450 0.75
SCHEMBL13695 0.75
SCHEMBL176426 0.75 TSHR (0.41) ALDH1A1TSHR
SCHEMBL12191378 0.75 TSHR (0.41) ALDH1A1TSHR
SCHEMBL560955 0.74 ALDH1A1 (0.33) ALDH1A1TSHR
SCHEMBL21115684 0.74
SCHEMBL15461676 0.72 SMN1; SMN2 (0.36) ALDH1A1TSHR
SCHEMBL25808327 0.72

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-11781069-B2 Liquid-crystal medium MERCK PATENT GMBH (DE) 2023-10-10 US disclosed
US-20190185748-A1 LIQUID-CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2019-06-20 US disclosed