SCHEMBL5222623

SCHEMBL5222623

C[C](C)COCC(C)C

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
SCHEMBL8383906 0.78
SCHEMBL6848509 0.78
SCHEMBL5498275 0.77
SCHEMBL8728883 0.74 TSHR (0.39)
SCHEMBL24399538 0.74 TSHR (0.31)
SCHEMBL24399541 0.74 TSHR (0.31)
Methyl Alcohol SCHEMBL28414164 0.74 ALDH1A1 (0.38)
SCHEMBL24856 0.73
SCHEMBL2952521 0.72
SCHEMBL11129625 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3215505-B1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE Bayer Pharma AG (DE) 2019-07-24 EP disclosed
US-10118930-B2 Piperidinylpyrazolopyrimidinones and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-11-06 US disclosed
US-20170334917-A1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-11-23 US disclosed
EP-3215505-A1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE Bayer Pharma Aktiengesellschaft (DE) 2017-09-13 EP disclosed
WO-2016071216-A1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-05-12 WO disclosed
CN-103289210-A Polypropylene resin composition and molded body containing same SUMITOMO CHEMICAL CO 2013-09-11 CN disclosed
US-20070287086-A1 Colored photosensitive resin composition, color filter, image sensor, and camera system SONY CORPORATION (JP) 2007-12-13 US disclosed
EP-1860502-A1 Colored photosensitive resin composition, color filter, image sensor, and camera system Sumitomo Chemical Company, Limited (JP) 2007-11-28 EP disclosed
CN-101078877-A Colored photosensitive resin composition, color filter, image sensor, and camera system SUMITOMO CHEMICAL CO (JP) 2007-11-28 CN disclosed
EP-0628026-B1 CYANO-OXIME ETHERS, PROCESS FOR PRODUCING THEM, AGENTS CONTAINING THEM AND THEIR USE BASF AG (DE) 1997-01-22 EP disclosed
EP-0628026-A1 CYANO-OXIME ETHERS, PROCESS FOR PRODUCING THEM, AGENTS CONTAINING THEM AND THEIR USE. BASF AG (DE) 1994-12-14 EP disclosed
WO-1993016985-A1 CYANO-OXIME ETHERS, PROCESS FOR PRODUCING THEM, AGENTS CONTAINING THEM AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 1993-09-02 WO disclosed