SCHEMBL5021

SCHEMBL5021

C[C](C)CC1CCCC1

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
SCHEMBL9253989 0.97 EPHX1 (0.43)
SCHEMBL5117 0.97 EPHX1 (0.43)
SCHEMBL3032405 0.97 EPHX1 (0.43)
SCHEMBL5708 0.97 EPHX1 (0.43)
SCHEMBL9979182 0.97 EPHX1 (0.43)
SCHEMBL95966 0.97 EPHX1 (0.43)
SCHEMBL5688 0.94
SCHEMBL349125 0.87
SCHEMBL28824158 0.80 TSHR (0.39)
SCHEMBL10406497 0.77 SHBG (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104837490-B Pyrimido [4, 5-b ] quinoline-4, 5(3H, 10H) -diones as nonsense mutation suppressors 诺华股份有限公司 2017-10-03 CN claimed
CN-109642065-B Rigid propylene compositions with good dimensional stability and excellent surface appearance 博里利斯股份公司 2021-07-27 CN disclosed
CN-108137886-B Long chain branched polypropylene compositions with increased melt strength stability 博里利斯股份公司 2021-05-04 CN disclosed
EP-2785695-B1 NEW BICYCLIC DIHYDROISOQUINOLINE-1-ONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2020-06-17 EP disclosed
EP-3653618-A1 NEW DIHYDROQUINOLINE-2-ONE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2020-05-20 EP disclosed
EP-2755963-B1 NEW DIHYDROQUINOLINE-2-ONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2019-10-30 EP disclosed
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
EP-2758388-B1 NEW BICYCLIC DIHYDROQUINOLINE-2-ONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2018-02-21 EP disclosed
CN-107569487-A Pyrimido [4,5 b] quinoline 4,5 (3H, 10H) diketone as nonsense mutation repressor 诺华股份有限公司 2018-01-12 CN disclosed
US-5086071-A Improved chemical stability and ppotent in vivo TORAY INDUSTRIES, INC. (JP) 1992-02-04 US disclosed
EP-0232776-B1 2,5,6,7-TETRANOR-4,8-INTER-M-PHENYLENE PGI2 DERIVATIVES TORAY INDUSTRIES, INC. (JP) 1990-10-24 EP disclosed
EP-0389162-A1 2,5,6,7-Tetranor-4,8-inter-m-phenylene PGI2 derivatives TORAY INDUSTRIES, INC. (JP) 1990-09-26 EP disclosed
US-4935426-A FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 1990-06-19 US disclosed
EP-0365678-A1 2,5,6,7-TETRANOR-4,8-INTER-m-PHENYLENE PGI 2 DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND USE THEREOF TORAY INDUSTRIES, INC. (JP) 1990-05-02 EP disclosed
US-4880939-A ANTISECRETORY AGENTS, HYPOTENSIVES, ANTICOAGULANTS TORAY INDUSTRIES (JP) 1989-11-14 US disclosed
US-4775692-A ANTILIPEMIC, ANTICOAGULANT, HYPOTENSIVE, ANTISECRETORY AND ANTIULCER AGENT TORAY INDUSTRIES, INC. (JP) 1988-10-04 US disclosed
EP-0274064-A2 2,5,6,7-Tetranor-18,18,19,19-tetradehydro-4,8-inter-m-phenylene PGI2 derivatives TORAY INDUSTRIES, INC. (JP) 1988-07-13 EP disclosed
EP-0232776-A2 2,5,6,7-tetranor-4,8-inter-m-phenylene PGI2 derivatives TORAY INDUSTRIES, INC. (JP) 1987-08-19 EP disclosed
US-4569942-A N,3-Disubstituted 2-oxindole-1-carboxamides as analgesic and antiinflammatory agents PFIZER INC. (US) 1986-02-11 US disclosed