SCHEMBL681141

SCHEMBL681141

CC(=O)CCC(C)(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
SCHEMBL1781286 0.82 ALDH1A1 (0.47)
SCHEMBL12640188 0.81 ALDH1A1 (0.53)
SCHEMBL1784240 0.80 PAOX (0.48)
SCHEMBL28722246 0.79 ALDH1A1 (0.50)
SCHEMBL3174218 0.79
SCHEMBL11690544 0.78 KDM4E (0.52)
SCHEMBL5819774 0.78 PAOX (0.52)
SCHEMBL8898949 0.78 PAOX (0.52)
SCHEMBL1785870 0.78 PAOX (0.52)
SCHEMBL26042660 0.78 PAOX (0.52)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001010541-A9 AN APPARATUS AND METHOD FOR IMPROVING AN OSMOSIS PROCESS BROOKS GERALD L (US) 2002-09-26 WO claimed
EP-1214138-A1 AN APPARATUS AND METHOD FOR IMPROVING AN OSMOSIS PROCESS Brooks, Gerald L. (US) 2002-06-19 EP claimed
US-20020008066-A1 Apparatus and method for improving an osmosis process EARTH WATERS, INC. 2002-01-24 US claimed
WO-2001010541-A1 AN APPARATUS AND METHOD FOR IMPROVING AN OSMOSIS PROCESS EARTH WATERS INC (US) 2001-02-15 WO claimed
US-12037415-B2 Peptide and pharmaceutical composition for treating an eye disease comprising the same as an active pharmaceutical ingredient YUYU PHARMA, INC. (KR) 2024-07-16 US disclosed
US-12030853-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2024-07-09 US disclosed
US-20240207412-A1 DIELS-ALDER CONJUGATION METHODS REGENERON PHARMACEUTICALS, INC. (US) 2024-06-27 US disclosed
US-20240025903-A1 Bicyclic Compounds and Uses Thereof for the Treatment of Diseases ATHIRA PHARMA, INC. (US) 2024-01-25 US disclosed
US-11814391-B2 Macrocyclic compounds for the treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-11-14 US disclosed
US-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2023-11-09 US disclosed
US-20230357302-A1 TRITERPENE SAPONIN VARIANTS, METHODS OF SYNTHESIS AND USE THEREOF MEMORIAL SLOAN-KETTERING CANCER CENTER 2023-11-09 US disclosed
US-11807641-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2023-11-07 US disclosed
US-7169747-B2 Bicyclic lactones, perfumery uses thereof, processes for preparing same and intermediates therefor INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2007-01-30 US disclosed
US-6252118-B1 REACTING A KETONE HAVING A BETA HYDROGEN WITH AN OLEFIN CATALYZED BY A TRANSITION METAL CATALYST COMPOUND WITH THE AID OF A 2-AMINOPYRIDINE DERIVATIVE Jun, Chul Ho (KR) 2001-06-26 US disclosed
EP-0580308-B1 Working fluid composition for refrigeration machine KAO CORP (JP) 2000-11-15 EP disclosed
EP-0531715-B1 Process for producing alcohols and ketones SUMITOMO CHEMICAL CO (JP) 1997-11-05 EP disclosed
US-5426237-A Oxidation of straight, branched or cyclic alkanes and benzene derivatives in presence of transition metal catalyst and aldehyde SUMITOMO CHEMICAL CO., LTD. (JP) 1995-06-20 US disclosed
US-5395544-A Ester-containing working fluid composition for refrigerating machine KAO CORPORATION (JP) 1995-03-07 US disclosed
EP-0580308-A1 Working fluid composition for refrigeration machine KAO CORPORATION (JP) 1994-01-26 EP disclosed
EP-0531715-A1 Process for producing alcohols and ketones SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-03-17 EP disclosed