SCHEMBL29113016

SCHEMBL29113016

CC(Cl)(CCC(=O)Cl)C(=O)Cl

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
ALDH1A1 P00352 2/20 0.39
TP53 P04637 1/20 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
SCHEMBL2154212 0.77 TSHR (0.43) TSHRALDH1A1TP53
SCHEMBL11319107 0.77
SCHEMBL2180506 0.76
SCHEMBL8984311 0.75 TSHR (0.42) TSHRALDH1A1TP53
Ammonia Solution, Strong SCHEMBL27686666 0.74 TSHR (0.46) TSHRALDH1A1TP53
SCHEMBL29112999 0.74 TSHR (0.39) TSHRALDH1A1TP53
Hydrochloric Acid SCHEMBL6641911 0.74 TSHR (0.46) TSHRALDH1A1TP53
SCHEMBL5796976 0.73
SCHEMBL7707637 0.72
SCHEMBL9186887 0.70

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
CN-117122720-A Preparation method of sponge containing bletilla striata polysaccharide 贵州省农作物品种资源研究所 2023-11-28 CN disclosed