SCHEMBL969254

SCHEMBL969254

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
TSHR P16473 2/20 0.34
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
CA1 P00915 3/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA14 Q9ULX7 1/20 0.33
HTT P42858 1/20 0.31
FOLH1 Q04609 2/20 0.30
NAALAD2 Q9Y3Q0 2/20 0.30
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP3 P08254 1/20 0.30
KDM4E B2RXH2 1/20 0.30
RAB9A P51151 1/20 0.30
USP2 O75604 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
SCHEMBL107501 0.77 CA1 (0.34) ALDH1A1TDP1TSHRCA1CA2
SCHEMBL108300 0.76 TSHR (0.41) ALDH1A1TDP1TSHRCA1FOLH1
SCHEMBL17391206 0.76 CA1 (0.55) CA1CA2
SCHEMBL410004 0.75 ALDH1A1 (0.38) ALDH1A1TDP1TSHRMGAMGAA
SCHEMBL25403063 0.74
SCHEMBL13815179 0.74
SCHEMBL108317 0.74
SCHEMBL108932 0.73 CES2 (0.52) ALDH1A1TSHRCA1CA2
SCHEMBL109749 0.73 CA2 (0.44) ALDH1A1TDP1TSHRCA1CA2
SCHEMBL31346310 0.71 TSHR (0.37) ALDH1A1TDP1TSHRCA1FOLH1

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 168 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106632100-A Preparation method of antibacterial veterinary medicine quinocetone 杭州洪桥生物技术有限公司 2017-05-10 CN claimed
CN-103788901-B High temperature resistant pressure sensitive adhesive adhesive composition, preparation method and double-faced adhesive tape 张家港康得新光电材料有限公司 2017-03-15 CN claimed
CN-105405490-A Conductive paste for laser processing, conductive sheet, fabrication method of signal layout line and electronic device TOYO INK SC HOLDINGS CO LTD 2016-03-16 CN claimed
US-4844717-A KETONE AND AMIDE UNION OIL COMPANY OF CALIFORNIA (US) 1989-07-04 US claimed
CN-111448225-B Copolymer, rubber composition, resin composition, tire, and resin product 株式会社普利司通 2022-07-01 CN disclosed
CN-113840741-A Multipolymer, rubber composition, resin composition, tire and resin product 株式会社普利司通 2021-12-24 CN disclosed
CN-108137756-B Multipolymer, rubber composition, crosslinked rubber composition, rubber product and tire 株式会社普利司通 2021-06-15 CN disclosed
WO-2021065973-A1 SEALING RESIN COMPOSITION 味の素株式会社 2021-04-08 WO disclosed
CN-108137746-B Multipolymer, rubber composition, crosslinked rubber composition, rubber product and tire 株式会社普利司通 2021-04-06 CN disclosed
CN-108137767-B Multipolymer, rubber composition, crosslinked rubber composition and rubber product 株式会社普利司通 2021-03-09 CN disclosed
CN-108137745-B Multipolymer, rubber composition, crosslinked rubber composition and rubber product 株式会社普利司通 2021-03-09 CN disclosed
CN-112105688-A Vulcanized rubber composition, tire tread and tire 株式会社普利司通 2020-12-18 CN disclosed
US-6111112-A Synthesis of 3-amino-2-chloro-4-methylpyridine from malononitrile and acetone BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2000-08-29 US disclosed
WO-2000043364-A1 SYNTHESIS OF 3-AMINO-2-CHLORO-4-METHYLPYRIDINE FROM ACETONE AND ETHYL CYANOACETATE BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2000-07-27 WO disclosed
WO-2000043365-A1 SYNTHESIS OF 3-AMINO-2-CHLORO-4-METHYLPYRIDINE FROM MALONONITRILE AND ACETONE BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2000-07-27 WO disclosed
WO-1993023348-A1 METHOD OF CERAMIC COATING S.D. INVESTMENTS LIMITED (GB) 1993-11-25 WO disclosed
US-4844717-A KETONE AND AMIDE UNION OIL COMPANY OF CALIFORNIA (US) 1989-07-04 US disclosed
US-4533503-A CONDENSATION CATALYST FOR VULCANIZABLE POLYSILOXANES GENERAL ELECTRIC COMPANY (US) 1985-08-06 US disclosed
US-4489199-A Room temperature vulcanizable organopolysiloxane compositions GENERAL ELECTRIC COMPANY (US) 1984-12-18 US disclosed
US-3946057-A ALKYLENE OXIDE, METAL HALIDE, POLAR SOLVENT UNION CARBIDE CORPORATION (US) 1976-03-23 US disclosed