SCHEMBL6889464

SCHEMBL6889464

CC(C)CC(=O)CN

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
Hydrochloric Acid SCHEMBL1654653 0.97
SCHEMBL36990 0.81 CYP2C19 (0.59)
SCHEMBL10834211 0.81 CYP2C19 (0.59)
SCHEMBL29243155 0.80
SCHEMBL359488 0.79
SCHEMBL1177351 0.78 GABRR1 (0.54)
SCHEMBL12196723 0.78
SCHEMBL11311530 0.78 GABRR1 (0.37)
SCHEMBL9576482 0.78 CYP2C19 (0.52)
SCHEMBL16882603 0.78 GABRR1 (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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3831388-B1 CYCLOPENTENYL PURINE DERIVATIVE OR SALT THEREOF FOR USE IN SUPPRESSING ADENOVIRUS FUJIFILM CORP (JP) 2024-02-28 EP disclosed
US-20230381323-A1 RELEASABLE CONJUGATES FISH & RICHARDSON PC 2023-11-30 US disclosed
US-11786599-B2 Releasable conjugates QUIAPEG PHARMACEUTICALS AB (SE) 2023-10-17 US disclosed
US-11718758-B2 Aqueous dispersion of colored particles MITSUBISHI PENCIL COMPANY, LIMITED (JP) 2023-08-08 US disclosed
EP-3725854-B1 COLORED PARTICLE AQUEOUS DISPERSION MITSUBISHI PENCIL CO (JP) 2023-07-05 EP disclosed
CN-113943547-A Ceramic conductive organic silica gel for fire-resistant cable and preparation method thereof 广东航迈新材料科技有限公司 2022-01-18 CN disclosed
EP-3831388-A1 CYCLOPENTENYL PURINE DERIVATIVE OR SALT THEREOF FUJIFILM Corporation (JP) 2021-06-09 EP disclosed
US-20180111905-A1 N2-(2-METHOXYPHENYL)PYRIMIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION FOR CANCER PREVENTION OR TREATMENT CONTAINING SAME AS ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2018-04-26 US disclosed
US-20170253592-A1 N-(HETERO)ARYL-SUBSTITUTED HETEROYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF DISEASES OR CONDITIONS RELATED TO THE CENTRAL NERVOUS SYSTEM SHIRE INTERNATIONAL GMBH (CH) 2017-09-07 US disclosed
US-9562113-B2 Labeled alginate conjugates for molecular imaging applications BELLEROPHON BCM LLC (US) 2017-02-07 US disclosed
US-20100056569-A1 Heterocyclic Non-Nucleoside Compounds, Their Preparation, Pharmaceutical Composition And Their Use As Antiviral Agents SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2010-03-04 US disclosed
EP-1924560-B1 6-SUBSTITUTED- 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS LILLY CO ELI (US) 2009-08-05 EP disclosed
US-20080255092-A1 6-Substituted-2,3,4,5-Tetrahydro-1H-Benzo[d]Azepines as 5-Ht2c Receptor Agonists ELI LILLY AND COMPANY 2008-10-16 US disclosed
US-20080255092-A1 6-Substituted-2,3,4,5-Tetrahydro-1H-Benzo[d]Azepines as 5-Ht2c Receptor Agonists ELI LILLY AND COMPANY 2008-10-16 US disclosed
WO-2007028082-A1 6-SUBSTITUTED- 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2007-03-08 WO disclosed
EP-0931082-A4 NODULISPORIC ACID DERIVATIVES MERCK & CO INC (US) 1999-11-17 EP disclosed
EP-0931082-A1 NODULISPORIC ACID DERIVATIVES Merck &amp; Co., Inc. (a New Jersey corp.) (US) 1999-07-28 EP disclosed
WO-1998012196-A1 NODULISPORIC ACID DERIVATIVES MERCK & CO., INC. (US) 1998-03-26 WO disclosed
CN-1033279-C Technology for separation of zirconium and hafnium by distillation and extraction with trioctylamine BEIJING NON FERROUS RESEARCH I (CN) 1996-11-13 CN disclosed
CN-1061439-A Technology with the trioctylamine fractionating, extracting and separating zirconium and hafnium BEIJING NON FERROUS RESEARCH I (CN) 1992-05-27 CN disclosed