SCHEMBL168669

SCHEMBL168669

O=C(O)c1nc(Br)cs1

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
Formaldehyde SCHEMBL27847271 0.96 GRM5 (0.44)
SCHEMBL14662105 0.87 PLA2G4A (0.41)
SCHEMBL1706430 0.82
SCHEMBL1032888 0.80
SCHEMBL169576 0.80
Lithium Ion SCHEMBL20746311 0.78 GRM5 (0.44)
SCHEMBL17190682 0.77 GRM5 (0.46)
SCHEMBL8460 0.76
SCHEMBL5048867 0.76 ECE1 (0.42)
SCHEMBL24838942 0.75 GRM5 (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3354651-B1 TRIFLUOROMETHYL ALCOHOLS AS MODULATORS OF ROR-GAMMA-T JANSSEN PHARMACEUTICA NV (BE) 2021-01-06 EP claimed
US-10150762-B2 Trifluoromethyl alcohols as modulators of RORγt JANSSEN PHARMACEUTICA, NV (BE) 2018-12-11 US claimed
EP-3354651-A1 TRIFLUOROMETHYL ALCOHOLS AS MODULATORS OF ROR-GAMMA-T Janssen Pharmaceutica N.V. (BE) 2018-08-01 EP claimed
US-20170327492-A1 TRIFLUOROMETHYL ALCOHOLS AS MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (BE) 2017-11-16 US claimed
US-20260124190-A1 METHOD FOR TREATING A DISEASE OR CONDITION USING A PYRAZOLE COMPOUND OR FORMULATION THEREOF RIGEL PHARMACEUTICALS, INC. (US) 2026-05-07 US disclosed
EP-4713322-A1 1,3-THIAZOLE AND 1,2,4-THIADIAZOLE DERIVATIVES FOR USE AS CD38 INHIBITORS FOR THE TREATMENT OF CNS DISORDERS Cerevance, Inc. (US) 2026-03-25 EP disclosed
US-20250388598-A1 RAS INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2025-12-25 US disclosed
US-20250368661-A1 RAS INHIBITORS REVOLUTION MEDICINES INC (US) 2025-12-04 US disclosed
WO-2025215110-A1 NEW AMIDE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS SOS1 INHIBITORS LES LABORATOIRES SERVIER (FR) 2025-10-16 WO disclosed
US-12441723-B2 Pyrazole compounds, formulations thereof, and a method for using the compounds and/or formulations RIGEL PHARMACEUTICALS, INC. (US) 2025-10-14 US disclosed
US-20250282785-A1 PYRROLIDINONE DERIVATIVES AS INHIBITORS OF NF KAPPA B INDUCING KINASE JANSSEN PHARMACEUTICA NV (BE) 2025-09-11 US disclosed
US-12357623-B2 Method for treating a disease or condition using a pyrazole compound or formulation thereof RIGEL PHARMACEUTICALS, INC. (US) 2025-07-15 US disclosed
WO-2009058728-A1 THIAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS SCHERING CORPORATION (US) 2009-05-07 WO disclosed
EP-1926721-A2 THIOPHENE AND THIAZOLE SUBSTITUTED TRIFLUOROETHANONE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS Istituto di Richerche di Biologia Molecolare P. Angeletti S.p.A. (IT) 2008-06-04 EP disclosed
CN-101193891-A 2-thioethenyl substituted carbapenem derivatives MEIJI SEIKA KAISHA (JP) 2008-06-04 CN disclosed
WO-2008057336-A2 HETEROCYCLYL-SUBSTITUTED ANTI-HYPERCHOLESTEROLEMIC COMPOUNDS MERCK & CO., INC. (US) 2008-05-15 WO disclosed
WO-2008057336-A2 HETEROCYCLYL-SUBSTITUTED ANTI-HYPERCHOLESTEROLEMIC COMPOUNDS MERCK & CO., INC. (US) 2008-05-15 WO disclosed
EP-1870412-A1 2-THIOETHENYL CARBAPENEM DERIVATIVE MEIJI SEIKA KAISHA LTD. (JP) 2007-12-26 EP disclosed
WO-2007029035-A2 THIOPHENE AND THIAZOLE SUBSTITUTED TRIFLUOROETHANONE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-03-15 WO disclosed
US-20070004700-A1 2-Thioethenyl substituted carbapenem derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2007-01-04 US disclosed