SCHEMBL789267

SCHEMBL789267

CC1=C(C)CCC=C1

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
SCHEMBL8527543 0.97
SCHEMBL1053813 0.83
SCHEMBL1048909 0.81 ALDH1A1 (0.42)
SCHEMBL1048910 0.81 ALDH1A1 (0.42)
SCHEMBL1051776 0.81
SCHEMBL1051777 0.81
SCHEMBL4021685 0.79 ALDH1A1 (0.41)
SCHEMBL4021681 0.79 ALDH1A1 (0.41)
SCHEMBL1485720 0.74
SCHEMBL11583165 0.74 ALDH1A1 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118005475-A Condensed ring alkane, preparation method thereof and use as jet fuel 青岛科技大学 2024-05-10 CN claimed
US-20180290887-A1 SOLAR ENERGY HARVESTING AND REVERSIBLE HYDROGEN STORAGE METHODS AND SYSTEMS THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2018-10-11 US claimed
CN-104755473-B 2,3 benzodiazepine * 拜耳医药股份有限公司 2017-03-08 CN claimed
WO-2016183678-A1 SOLAR ENERGY HARVESTING AND REVERSIBLE HYDROGEN STORAGE METHODS AND SYSTEMS THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2016-11-24 WO claimed
EP-2616473-B1 MIXTURES CONTAINING PHOSPHOROUS, PROCEDURES FOR THEIR PRODUCTION AND USE CLARIANT INT LTD (CH) 2016-11-09 EP claimed
EP-2148742-B1 SEPARATION OF N,N,N'-TRIMETHYLBISAMINOETHYLETHER FROM MIXTURES COMPRISING TERTIARY AMINES OR TERTIARY AMINOALKYLETHERS HUNTSMAN INT LLC (US) 2014-04-16 EP claimed
EP-2616473-A2 PHOSPHORUS-CONTAINING MIXTURES, PROCESSES FOR PREPARING THEM AND USE THEREOF Clariant Finance (BV) Limited (VG) 2013-07-24 EP claimed
CN-103221416-A Phosphorus-containing mixtures, processes for preparing them and use thereof CLARIANT FINANCE BVI LTD 2013-07-24 CN claimed
US-20130172457-A1 Phosphorus-Containing Mixtures, Processes for Preparing Them and Use Thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2013-07-04 US claimed
WO-2012034680-A2 PHOSPHORUS-CONTAINING MIXTURES, PROCESSES FOR PREPARING THEM AND USE THEREOF CLARIANT INTERNATIONAL LTD (CH) 2012-03-22 WO claimed
EP-4155257-B1 METHOD FOR PRODUCING SYNTHESIS GAS LG CHEMICAL LTD (KR) 2026-05-06 EP disclosed
US-12441612-B2 Method for preparing synthesis gas LG CHEM, LTD. (KR) 2025-10-14 US disclosed
CN-118005475-A Condensed ring alkane, preparation method thereof and use as jet fuel 青岛科技大学 2024-05-10 CN disclosed
CN-115720571-B Method for producing synthesis gas 株式会社LG化学 2024-04-12 CN disclosed
CN-114436972-B Pabendazole derivative, and preparation method and application thereof 山东大学 2024-02-13 CN disclosed
US-4880747-A CULTURES, ANTIGENS, ANTICANCER AGENTS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 1989-11-14 US disclosed
EP-0000534-B1 PROCESS FOR THE PREPARATION OF VINYL OXIRANES BAYER AG (DE) 1982-02-03 EP disclosed
EP-0000534-A1 Process for the preparation of vinyl oxiranes BAYER AG (DE) 1979-02-07 EP disclosed
US-4061685-A ALKANE, ALKENE, CYCLOALKANE OR CYCLOALKENE WITH WATER, METAL OXIDE E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-12-06 US disclosed
US-4057681-A SOLUTION EXXON RESEARCH & ENGINEERING CO. (US) 1977-11-08 US disclosed