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Acetone

Acetone

SCHEMBL9580371

CC(C)=O.CO[Si](CCCOCC1CO1)(OC)OC

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ ALDH1A1 P00352 5/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ TP53 P04637 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ MAPK1 P28482 1/20 0.36
▸ PKM P14618 1/20 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
Acetic Acid SCHEMBL25434355 0.95 TSHR (0.50) TSHRSMN1; SMN2ALDH1A1TDP1TP53
Butanone SCHEMBL28044177 0.93 SMN1; SMN2 (0.50) TSHRSMN1; SMN2ALDH1A1TDP1TP53
Methyl Alcohol SCHEMBL28322454 0.92 TSHR (0.57) TSHRSMN1; SMN2ALDH1A1TDP1TP53
SCHEMBL5958589 0.92 TSHR (0.61) TSHRSMN1; SMN2ALDH1A1TDP1TP53
SCHEMBL10877779 0.92 TSHR (0.61) TSHRSMN1; SMN2ALDH1A1TDP1TP53
SCHEMBL284717 0.92 TSHR (0.61) TSHRSMN1; SMN2ALDH1A1TDP1TP53
SCHEMBL27615 0.92 TSHR (0.61) TSHRSMN1; SMN2ALDH1A1TDP1TP53
SCHEMBL30018303 0.92 TSHR (0.61) TSHRSMN1; SMN2ALDH1A1TDP1TP53
SCHEMBL9561818 0.90 TSHR (0.55) TSHRSMN1; SMN2ALDH1A1TDP1TP53
Water SCHEMBL10623226 0.90 TSHR (0.59) TSHRSMN1; SMN2ALDH1A1TDP1TP53

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
US-5264523-A Silane coupler DAIKIN INDUSTRIES, LTD. (JP) 1993-11-23 — — US disclosed