SCHEMBL4562991

SCHEMBL4562991

Cc1cc(C)n(I)n1

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
SCHEMBL18799894 0.78
SCHEMBL18799910 0.76
SCHEMBL18912228 0.69 KDM4E (0.41)
SCHEMBL18912225 0.69 ALDH1A1 (0.39)
SCHEMBL2845116 0.69 GLS (0.64)
SCHEMBL147208 0.69
SCHEMBL4758840 0.69 KDM4E (0.43)
Lithium Ion SCHEMBL4758839 0.67 KDM4E (0.42)
SCHEMBL6742811 0.67
SCHEMBL22340515 0.67

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024107658-A2 INHIBITORS OF TYK2 VYRNWY THERAPEUTICS, INC. (US) 2024-05-23 WO disclosed
US-20230242548-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-08-03 US disclosed
CN-116413344-A Quality control method and application of reagent 药源药物化学(上海)有限公司 2023-07-11 CN disclosed
US-20220223825-A1 LAMINATE AND ORGANIC ELECTROLUMINESCENT DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2022-07-14 US disclosed
EP-3359154-B1 WNT SIGNALING PATHWAY INHIBITORS AND THERAPEUTIC APPLICATIONS THEREOF Suzhou Yunxuan Yiyao Keji Youxian Gongsi (CN) 2021-05-26 EP disclosed
EP-3221295-B1 MONOCARBOXYLATE TRANSPORT MODULATORS AND USES THEREOF NIROGY THERAPEUTICS INC (US) 2021-04-14 EP disclosed
WO-2017088755-A1 AMINOPYRIMIDINE HETEROCYCLIC COMPOUND WITH ADENOSINE RECEPTOR ANTAGONISTIC ACTIVITY Suzhou Yunxuan Yiyao Keji Youxian Gongsi (CN) 2017-06-01 WO disclosed
WO-2017040451-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL-MYERS SQUIBB COMPANY (US) 2017-03-09 WO disclosed
WO-2014078813-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES IRM LLC (BM) 2014-05-22 WO disclosed
EP-2131655-A2 TRI-ARYL/HETEROAROMATIC CANNABINOIDS AND USE THEREOF The University of Tennessee Research Foundation (US) 2009-12-16 EP disclosed
WO-2008109027-A2 TRI-ARYL/HETEROAROAROMATIC CANNABINOIDS AND USE THEREOF UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION, THE (US) 2008-09-12 WO disclosed