SCHEMBL195748

SCHEMBL195748

CC(C)(C=O)CCO

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL26622164 0.83
SCHEMBL29439973 0.81 CYP4F2 (0.39)
SCHEMBL36074 0.75
SCHEMBL2419274 0.75 MEN1 (0.31)
SCHEMBL9186664 0.75 MEN1 (0.35)
SCHEMBL1284013 0.75 MEN1 (0.31)
SCHEMBL270060 0.73
SCHEMBL11883972 0.73 FFAR1 (0.35)
SCHEMBL22129888 0.73 MEN1 (0.30)
SCHEMBL28809578 0.73 MEN1 (0.30)

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110913858-A Kinase inhibitors and uses thereof 戴纳立制药公司 2020-03-24 CN disclosed
EP-2206751-B1 COLORING COMPOSITION, METHOD FOR PRODUCTION THEREOF, AND COLORING METHOD DAINICHISEIKA COLOR CHEM (JP) 2020-01-08 EP disclosed
EP-2358786-B1 POLYESTER COMPOSITIONS WHICH COMPRISE SPIRO-GLYCOL, CYCLOHEXANEDIMETHANOL, AND TEREPHTHALIC ACID EASTMAN CHEM CO (US) 2017-05-03 EP disclosed
US-8895654-B2 Polyester compositions which comprise spiro-glycol, cyclohexanedimethanol, and terephthalic acid EASTMAN CHEMICAL COMPANY (US) 2014-11-25 US disclosed
US-8895654-B2 Polyester compositions which comprise spiro-glycol, cyclohexanedimethanol, and terephthalic acid EASTMAN CHEMICAL COMPANY (US) 2014-11-25 US disclosed
US-8361218-B2 Coloring composition, method for production thereof, and coloring method Dainischiseika Color & Chemicals Mfg. Co., Ltd. (JP) 2013-01-29 US disclosed
CN-101516366-B Oxindole derivatives as anticancer agents HOFFMANN LA ROCHE 2012-05-30 CN disclosed
EP-1717277-B1 Pixel-forming colorant compositions and their use DAINICHISEIKA COLOR CHEM (JP) 2012-01-04 EP disclosed
US-20100291359-A1 Coloring composition, method for production thereof, and coloring method DAINICHISEIKA COLOR & CHEMICALS MFG. CO., LTD. (JP) 2010-11-18 US disclosed
WO-2010080117-A1 POLYESTER COMPOSITIONS WHICH COMPRISE SPIRO-GLYCOL, CYCLOHEXANEDIMETHANOL, AND TEREPHTHALIC ACID EASTMAN CHEMICAL COMPANY (US) 2010-07-15 WO disclosed
EP-2206751-A1 COLORING COMPOSITION, METHOD FOR PRODUCTION THEREOF, AND COLORING METHOD Dainichiseika Color & Chemicals Mfg. Co., Ltd. (JP) 2010-07-14 EP disclosed
US-20100160549-A1 Polyester Compositions Which Comprise Spiro-Glycol, Cyclohexanedimethanol, and Terephthalic Acid EASTMAN CHEMICAL COMPANY (US) 2010-06-24 US disclosed
US-20100160549-A1 Polyester Compositions Which Comprise Spiro-Glycol, Cyclohexanedimethanol, and Terephthalic Acid EASTMAN CHEMICAL COMPANY (US) 2010-06-24 US disclosed
US-7611572-B2 Pixel-forming colorant compositions and their use DAINICHISEIKA COLOR & CHEMICALS MFG. CO., LTD. (JP) 2009-11-03 US disclosed
CN-101516366-A Oxindole derivatives as anticancer agents HOFFMANN LA ROCHE (CH) 2009-08-26 CN disclosed
EP-1717277-A2 Pixel-forming colorant compositions and their use Dainichiseika Color & Chemicals Mfg. Co., Ltd. (JP) 2006-11-02 EP disclosed
US-20060213394-A1 PIXEL-FORMING COLORANT COMPOSITIONS AND THEIR USE DAINICHISEIKA COLOR & CHEMICALS MFG. CO., LTD. (JP) 2006-09-28 US disclosed
US-3994851-A AMINE-ALDEHYDE CROSSLINKING AGENT PPG INDUSTRIES, INC. (US) 1976-11-30 US disclosed