SCHEMBL9513

SCHEMBL9513

C=CCOC(=O)CC(C)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
GAA P10253 3/20 0.48
MGAM O43451 2/20 0.48
SI P14410 2/20 0.48
MGAM2 Q2M2H8 2/20 0.48
TDP1 Q9NUW8 1/20 0.46
MAPT P10636 1/20 0.41
CACNA1B Q00975 1/20 0.41
APBA1 Q02410 1/20 0.41
CYP3A4 P08684 1/20 0.39
ALDH1A1 P00352 7/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
PKM P14618 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.35
LMNA P02545 1/20 0.35
HSD17B10 Q99714 3/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
EPHX2 P34913 1/20 0.34

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
SCHEMBL5702374 0.98 TSHR (0.48) TSHRGAAMGAMSIMGAM2
Acetone SCHEMBL28861611 0.98 TSHR (0.48) TSHRGAAMGAMSIMGAM2
SCHEMBL1616122 0.98 TSHR (0.48) TSHRGAAMGAMSIMGAM2
SCHEMBL2221470 0.98 TSHR (0.48) TSHRGAAMGAMSIMGAM2
SCHEMBL5134550 0.98 TSHR (0.48) TSHRGAAMGAMSIMGAM2
SCHEMBL7052633 0.92 TSHR (0.44) TSHRGAAMGAMSIMGAM2
Acetoacetic Acid SCHEMBL1318189 0.92 TSHR (0.44) TSHRGAAMGAMSIMGAM2
SCHEMBL29129595 0.92 TDP1 (0.49) TSHRGAAMGAMSIMGAM2
Acetoacetic Acid SCHEMBL14800067 0.90 TSHR (0.43) TSHRGAAMGAMSIMGAM2
Isopropyl Alcohol SCHEMBL28650817 0.90 TDP1 (0.47) TSHRGAAMGAMSIMGAM2

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

Appears in 9341 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260109875-A1 MULTI-PART WATER-BORNE COATING COMPOSITION AXALTA COATING SYSTEMS IP CO., LLC (US) 2026-04-23 US claimed
US-20260109865-A1 WATER-BORNE COATING COMPOSITION AXALTA COATING SYSTEMS IP CO., LLC (US) 2026-04-23 US claimed
CN-121574296-A Acrylic ester emulsion, preparation method and application thereof 万华化学集团股份有限公司 2026-02-27 CN claimed
US-12497475-B2 Aqueous polymer composition and method of preparing thereof DOW GLOBAL TECHNOLOGIES LLC (US) 2025-12-16 US claimed
EP-4619470-A1 SILANE COMPOUND AND COMPOSITIONS CONTAINING SAME Synthomer Sdn. Bhd. (MY) 2025-09-24 EP claimed
EP-4225817-B1 AQUEOUS POLYMER COMPOSITION AND METHOD OF PREPARING THEREOF DOW GLOBAL TECHNOLOGIES LLC (US) 2025-07-16 EP claimed
CN-120192289-A Synthesis method of multi-functional 2-alkenyl furan-ring-4-ketone and 5-alkenyl-3-furan carbonyl compound 首都医科大学 2025-06-24 CN claimed
CN-120202247-A Silane compound and composition containing same 昕特玛私人有限公司 2025-06-24 CN claimed
CN-119798653-A Environment-friendly high polymer material capable of regulating dynamic network and preparation and closed-loop recovery method thereof 青岛科技大学 2025-04-11 CN claimed
CN-119775477-A Anti-graffiti acrylic emulsion and preparation method and application thereof 万华化学集团股份有限公司 2025-04-08 CN claimed
US-4173588-A FROM 2-METHYL-3-BUTEN-2-OL AND AN ALKYL ACETOACETATE, ORGANOALUMINUM COMPOUND BASF AKTIENGESELLSCHAFT (DE) 1979-11-06 US claimed
US-4146516-A COPOLYMER CONTAINING ACETOACETATE GROUP, PROTECTIVE COLLOID, CHELATE COMPOUNDS HOECHST AKTIENGESELLSCHAFT (DE) 1979-03-27 US claimed
US-4132843-A Blocked polyisocyanates formed from hexamethylene-1,6-diisocyanate and acetoacetic acid C3 -C5 alkyl esters HOECHST AKTIENGESELLSCHAFT (DE) 1979-01-02 US claimed
US-4104140-A Process for the electrochemical synthesis of organic metal compounds STUDIENGESELLSCHAFT KOHLE MBH (DE) 1978-08-01 US claimed
US-4098933-A PROCESS FOR THE PRODUCTION OF WATER-SOLUBLE OR WATER-DISPERSIBLE BLOCKED POLYISOCYANATES BAYER AKTIENGESELLSCHAFT (DE) 1978-07-04 US claimed
US-4024130-A Process for the manufacture of alkali metal salts of 6-[2-phenyl-2-(imidoylaminoalkanoylamino)acetamido]penicillanic acids PFIZER INC. (US) 1977-05-17 US claimed
US-3998999-A Process for preparing pyrazomycin and pyrazomycin B HOFFMANN-LA ROCHE INC. (US) 1976-12-21 US claimed
US-3998872-A PREPARATION OF UNSATURATED CARBONYL COMPOUNDS UNIVERSAL OIL PRODUCTS COMPANY (US) 1976-12-21 US claimed
US-3964983-A Process for the electrochemical synthesis of organic metal compounds STUDIENGESELLSCHAFT KOHLE M.B.H. (DT) 1976-06-22 US claimed
US-3936473-A COPPER OR NOBLE METAL SALT, OXYGEN AND ORGANIC ACID CATALYST UNIVERSAL OIL PRODUCTS COMPANY (US) 1976-02-03 US claimed