SCHEMBL594114

SCHEMBL594114

CC1=NC(C)(CO)CO1

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
SCHEMBL7992281 0.78
SCHEMBL19774119 0.76
SCHEMBL10835731 0.76 ALDH1A1 (0.53)
SCHEMBL8060462 0.76 LMNA (0.47)
SCHEMBL11633160 0.74 EPHX1 (0.31)
SCHEMBL15443949 0.74 EPHX1 (0.31)
SCHEMBL11743030 0.72 EPHX1 (0.30)
SCHEMBL11735136 0.72 MAPT (0.35)
SCHEMBL16459758 0.71 LMNA (0.47)
SCHEMBL3783213 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4500182-A1 PROGNOSTIC BIOMARKERS The University of Liverpool (GB) 2025-02-05 EP disclosed
WO-2023180753-A1 PROGNOSTIC BIOMARKERS THE UNIVERSITY OF LIVERPOOL (GB) 2023-09-28 WO disclosed
CN-114269982-A Fabric coating composition 惠普发展公司,有限责任合伙企业 2022-04-01 CN disclosed
EP-3885387-A1 POLYISOCYANATE-BASED POLYADDITION COMPOUNDS HAVING FIVE-MEMBERED CYCLIC IMINOETHER STRUCTURAL ELEMENTS Covestro Deutschland AG (DE) 2021-09-29 EP disclosed
EP-3885388-A1 POLYISOCYANATE BASED POLYADDITION COMPOUNDS WITH FIVE-MEMBERED CYCLIC IMINOETHER STRUCTURAL ELEMENTS FOR THE PRODUCTION OF POLYURETHANE PLASTICS Covestro Deutschland AG (DE) 2021-09-29 EP disclosed
US-8114873-B2 1,4-disubstituted naphthalenes as inhibitors of p38 map kinase ARQULE, INC. (US) 2012-02-14 US disclosed
US-20100311754-A1 1,4-Disubstituted Naphthalenes as Inhibitors of P38 Map Kinase ARQULE, INC. (US) 2010-12-09 US disclosed
US-7829560-B2 1,4-disubstituted naphthalenes as inhibitors of P38 MAP kinase ARQULE, INC. (US) 2010-11-09 US disclosed
US-20080032967-A1 1,4-Disubstituted Naphthalenes as Inhibitors of P38 Map Kinase ARQULE, INC. 2008-02-07 US disclosed
WO-2006010082-A1 1,4-DISUBSTITUTED NAPHTALENES AS INHIBITORS OF P38 MAP KINASE ARQULE, INC. (US) 2006-01-26 WO disclosed
WO-2003067472-A1 CHEMICAL INFORMATION PROVIDING SYSTEM ON SEARCH ENGINE FOR DEVELOPMENT OF NEW-MATERIAL NEXT-TECH CO., LTD (KR) 2003-08-14 WO disclosed
EP-0775104-B1 DIMER DTPA DERIVATIVES AND THEIR METAL COMPLEXES, PHARMACEUTICALS CONTAINING THE SAME, THEIR USE IN DIAGNOSIS AND THERAPY AND PROCESS FOR PREPARING SAID COMPLEXES AND PHARMACEUTICALS SCHERING AG (DE) 1999-05-06 EP disclosed
US-5695737-A CONTRAST MEDIA FOR NUCLEAR MAGNETIC RESONANCE SCHERING AKTIENGESELLSCHAFT (DE) 1997-12-09 US disclosed
CN-1156442-A Dimeric DTPA derivatives and metal complexes thereof, medicaments containing said complexes, their use in diagnosis and therapy and process for preparing said complexes and medicaments SCHERING AG (DE) 1997-08-06 CN disclosed
EP-0775104-A1 DIMER DTPA DERIVATIVES AND THEIR METAL COMPLEXES, PHARMACEUTICALS CONTAINING THE SAME, THEIR USE IN DIAGNOSIS AND THERAPY AND PROCESS FOR PREPARING SAID COMPLEXES AND PHARMACEUTICALS SCHERING AKTIENGESELLSCHAFT (DE) 1997-05-28 EP disclosed
CN-1136805-A Haloaryl-substituted metal complexes, pharmaceutical preparations containing these complexes, their use in diagnostics and processes for preparing the complexes and preparations SCHERING CORP (DE) 1996-11-27 CN disclosed
EP-0731784-A1 ARYL HALIDE SUBSTITUTED METALLIC COMPLEXES, PHARMACEUTICALS CONTAINING THESE COMPLEXES, THEIR USE FOR DIAGNOSTIC PURPOSES, AND METHODS FOR PREPARING THE COMPLEXES AND PHARMACEUTICALS SCHERING AKTIENGESELLSCHAFT (DE) 1996-09-18 EP disclosed
WO-1996005167-A1 DIMER DTPA DERIVATIVES AND THEIR METAL COMPLEXES, PHARMACEUTICALS CONTAINING THE SAME, THEIR USE IN DIAGNOSIS AND THERAPY AND PROCESS FOR PREPARING SAID COMPLEXES AND PHARMACEUTICALS SCHERING AKTIENGESELLSCHAFT (DE) 1996-02-22 WO disclosed
WO-1995015306-A1 ARYL HALIDE SUBSTITUTED METALLIC COMPLEXES, PHARMACEUTICALS CONTAINING THESE COMPLEXES, THEIR USE FOR DIAGNOSTIC PURPOSES, AND METHODS FOR PREPARING THE COMPLEXES AND PHARMACEUTICALS SCHERING AKTIENGESELLSCHAFT (DE) 1995-06-08 WO disclosed
US-4414213-A CARDIOVASCULAR DISORDERS MEAD JOHNSON & COMPANY (US) 1983-11-08 US disclosed