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Acetone

Acetone

SCHEMBL28225377

CC(C)=O.NNc1ccc(C(=O)O)cn1.O=C1CCC(=S)N1

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HCAR3 P49019 18/20 0.47
▸ HCAR2 Q8TDS4 2/20 0.41
▸ DDB1 Q16531 1/20 0.40
▸ CRBN Q96SW2 1/20 0.40

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
SCHEMBL28248953 0.96 HCAR3 (0.47) HCAR3HCAR2DDB1CRBN
Succinimide SCHEMBL27988812 0.91 HCAR3 (0.53) HCAR3HCAR2DDB1CRBN
Succinimide SCHEMBL28163974 0.87 HCAR3 (0.53) HCAR3HCAR2DDB1CRBN
Succinimide SCHEMBL25397856 0.86 HCAR3 (0.51) HCAR3HCAR2DDB1CRBN
Acetone SCHEMBL7024428 0.83 HCAR3 (0.66) HCAR3HCAR2
Succinimide SCHEMBL28224691 0.81 NNMT (0.55) HCAR3
SCHEMBL29505896 0.78 HCAR3 (0.67) HCAR3HCAR2
SCHEMBL158601 0.78 HCAR3 (0.67) HCAR3HCAR2
Hydrochloric Acid SCHEMBL5789616 0.77 HCAR3 (0.65) HCAR3HCAR2
Ammonia Solution, Strong SCHEMBL28249483 0.77 HCAR3 (0.65) HCAR3HCAR2

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
CN-108586621-A Targeting peptides are coupled to the method on recombination lysosomal enzyme 阿米库斯治疗学公司 2018-09-28 — — CN disclosed
CN-104160033-B Method of coupling targeting peptides to recombinant lysosomal enzymes 阿米库斯治疗学公司 2018-06-01 — — CN disclosed