SCHEMBL791126

SCHEMBL791126

C=CCC1CNCCN1

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
SCHEMBL11218995 0.87 CXCR4 (0.39)
SCHEMBL6839636 0.80
SCHEMBL9110599 0.78 LTA4H (0.31)
SCHEMBL11817088 0.78 L3MBTL1 (0.36)
SCHEMBL27266751 0.77
SCHEMBL17688543 0.77
SCHEMBL11667201 0.74 LTA4H (0.31)
SCHEMBL26756536 0.74 LTA4H (0.31)
SCHEMBL9110587 0.74
SCHEMBL14156661 0.74 ALDH1A1 (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150094315-A1 FUSED 2-AMINOTHIAZOLE COMPOUNDS DANA-FARBER CANCER INSTITUTE, INC. (US) 2015-04-02 US claimed
US-8765747-B2 Fused 2-aminothiazole compounds DANA-FARBER CANCER INSTITUTE, INC. (US) 2014-07-01 US claimed
CN-103709123-A 1, 4-dimethyl-1-alkyl piperazine ionic liquid as well as preparation method and applications thereof UNIV ZHEJIANG 2014-04-09 CN claimed
US-20120088766-A1 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USES DANA-FARBER CANCER INSTITUTE, INC. (US) 2012-04-12 US claimed
EP-0074559-A1 Beta-ketoamides and pigment preparations containing these amides BASF Aktiengesellschaft (DE) 1983-03-23 EP claimed
WO-2023205719-A1 KRAS G12D MODULATING COMPOUNDS GILEAD SCIENCES, INC. (US) 2023-10-26 WO disclosed
US-11548868-B2 Heterocyclic compounds, compositions comprising heterocyclic compound, and methods of use thereof JS INNOPHARM (SHANGHAI) LTD. (CN) 2023-01-10 US disclosed
CN-107249589-B Physiologically active substance-binding block copolymer 日本化药株式会社 2021-06-08 CN disclosed
US-20200339533-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS COMPRISING HETEROCYCLIC COMPOUND, AND METHODS OF USE THEREOF JS INNOPHARM (SHANGHAI) LTD (CN) 2020-10-29 US disclosed
CN-104395358-B Comb copolymer containing ion-type binding groups 比克化学股份有限公司 2016-12-07 CN disclosed
US-9505784-B2 Fused 2-aminothiazole compounds DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-11-29 US disclosed
US-20160207918-A1 SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2016-07-21 US disclosed
EP-1087981-A2 PRENYL TRANSFERASE INHIBITORS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES S.A.S. (FR) 2001-04-04 EP disclosed
US-6180619-B1 TREATING TUMORS OR RESTENOSIS BIOMEASURE, INCORPORATED 2001-01-30 US disclosed
WO-2000076521-A1 ANTIVIRAL INDOLEOXOACETYL PIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2000-12-21 WO disclosed
WO-2000006085-A2 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2000-02-10 WO disclosed
WO-1999065922-A2 PRENYL TRANSFERASE INHIBITORS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES S.A.S. (FR) 1999-12-23 WO disclosed
WO-1997021699-A1 PROCESS FOR MAKING 1,2-DIOXOLANES ZENECA LIMITED (GB) 1997-06-19 WO disclosed
US-4104174-A HETEROCYCLIC NITROGEN HYDROCHLORIDE, ETHOXYLATED TRIDECYL ALCOHOL EXXON RESEARCH & ENGINEERING CO. (US) 1978-08-01 US disclosed
US-3989460-A CYCLIC NITROGEN COMPOUNDS AND POLYALKOXYLATED FATTY ACIDS EXXON RESEARCH AND ENGINEERING COMPANY (US) 1976-11-02 US disclosed