SCHEMBL114126

SCHEMBL114126

CC[CH]CC(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
SCHEMBL56534 0.81
SCHEMBL10974789 0.76 ALDH1A1 (0.30)
SCHEMBL9060873 0.74
SCHEMBL56380 0.73
SCHEMBL8002951 0.73
SCHEMBL27495899 0.73
SCHEMBL56266 0.73
SCHEMBL8966432 0.73
SCHEMBL4619136 0.73
SCHEMBL7450592 0.73

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 1435 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10829512-B2 Selective disulfidation reagent using nitrogen-containing compound and method for producing disulfide-containing compound TOKYO UNIVERSITY OF PHARMACY & LIFE SCIENCES (JP) 2020-11-10 US claimed
EP-3138858-B1 AMINO FLUORENE POLYMER AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO LTD (KR) 2019-10-30 EP claimed
US-20190221750-A1 CONDENSED CYCLIC COMPOUND, COMPOSITION INCLUDING THE SAME, AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE CONDENSED CYCLIC COMPOUND SAMSUNG ELECTRONICS CO., LTD. (KR) 2019-07-18 US claimed
US-20190185457-A1 HETEROCYCLIC COMPOUND, COMPOSITION INCLUDING THE SAME, AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE HETEROCYCLIC COMPOUND SAMSUNG ELECTRONICS CO LTD (KR) 2019-06-20 US claimed
US-10270036-B2 Polymer, composition including the polymer, and organic light-emitting device including the polymer SAMSUNG ELECTRONICS CO., LTD. (KR) 2019-04-23 US claimed
CN-106892914-B Organic electroluminescent compounds, organic electroluminescence device and its application 南京高光半导体材料有限公司 2019-02-01 CN claimed
US-10158080-B2 Amino fluorene polymer and organic light-emitting device including the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2018-12-18 US claimed
US-10087198-B2 Reaction accelerator for a copolymerisation, electrical-insulation tape, electrical-insulation body, and consolidation body SIEMENS AKTIENGESELLSCHAFT (DE) 2018-10-02 US claimed
US-20180182966-A1 POLYMER, COMPOSITION INCLUDING THE POLYMER, AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE POLYMER SAMSUNG ELECTRONICS CO LTD (KR) 2018-06-28 US claimed
US-20180182967-A1 POLYMER, COMPOSITION INCLUDING THE POLYMER, AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE POLYMER SAMSUNG ELECTRONICS CO., LTD. (KR) 2018-06-28 US claimed
US-20060247461-A1 Hydrogenation of benzene polycarboxylic acids or derivatives thereof EXXONMOBIL CHEMICAL PATENTS INC. 2006-11-02 US claimed
CN-1726179-A Hydrogenation of benzene polycarboxylic acids or derivatives thereof EXXONMOBIL CHEM PATENTS INC (US) 2006-01-25 CN claimed
EP-1567470-A1 HYDROGENATION OF BENZENE POLYCARBOXYLIC ACIDS OR DERIVATIVES THEREOF ExxonMobil Chemical Patents Inc. (US) 2005-08-31 EP claimed
WO-2004046078-A1 HYDROGENATION OF BENZENE POLYCARBOXYLIC ACIDS OR DERIVATIVES THEREOF EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-06-03 WO claimed
US-6362137-B1 REACTING DISULFIDE OIL WITH 2,5-DIMERCAPTO-1,3,4-THIADIAZOLE INDIAN OIL CORPORATION (IN) 2002-03-26 US claimed
EP-0492508-B1 Method for preparing alkoxyphthalocyanine MITSUI TOATSU CHEMICALS (JP) 1996-03-13 EP claimed
EP-0677048-A1 CYCLIC SULFONE CONTAINING RETROVIRAL PROTEASE INHIBITORS. SEARLE & CO (US) 1995-10-18 EP claimed
US-5334714-A Method for preparing alkoxyphthalocyanine MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1994-08-02 US claimed
US-5220010-A METHOD FOR PREPARATION ALKOXYPHTHALOCYANINE MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1993-06-15 US claimed
EP-0492508-A1 Method for preparing alkoxyphthalocyanine MITSUI TOATSU CHEMICALS, Inc. (JP) 1992-07-01 EP claimed