SCHEMBL29018973

SCHEMBL29018973

CC(C)C#N.CC(C)C#N.CC(Cl)Cl

nearest known ligand 0.75

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.75
ALDH1A1 P00352 3/20 0.50
CYP3A4 P08684 1/20 0.50
ALOX15 P16050 1/20 0.50
HIF1A Q16665 1/20 0.50

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
Water SCHEMBL28118224 0.87 TSHR (1.00) TSHRALDH1A1CYP3A4ALOX15HIF1A
SCHEMBL14877 0.87
Water SCHEMBL27509838 0.87
SCHEMBL9492341 0.87 TSHR (1.00) TSHRALDH1A1CYP3A4ALOX15HIF1A
SCHEMBL16013108 0.82
Hydrochloric Acid SCHEMBL22531397 0.82
SCHEMBL4147757 0.82 TSHR (0.90) TSHRALDH1A1CYP3A4ALOX15HIF1A
Ammonia Solution, Strong SCHEMBL21462109 0.82 TSHR (0.90) TSHRALDH1A1CYP3A4ALOX15HIF1A
SCHEMBL29939124 0.82
Charcoal, Activated SCHEMBL29511178 0.82

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-115850589-B Resin containing active metal groups, and preparation method and application thereof 北京中科康仑环境科技研究院有限公司 2023-05-16 CN disclosed