SCHEMBL539461

SCHEMBL539461

Cc1ccc(C)[n+]([O-])c1

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
SCHEMBL30171295 1.00
SCHEMBL9716210 0.78 PTGS2 (0.41)
SCHEMBL11312869 0.74
SCHEMBL2977395 0.74
SCHEMBL11323882 0.74
SCHEMBL2213459 0.74
SCHEMBL30829028 0.74
SCHEMBL304451 0.74
SCHEMBL9455864 0.74
SCHEMBL11254238 0.74 CCR9 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12600728-B2 Interleukin-17 inhibitors NOVARTIS AG (CH) 2026-04-14 US disclosed
US-20250034143-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, LLC (US) 2025-01-30 US disclosed
US-11958854-B2 Substituted xanthines and methods of use thereof HYDRA BIOSCIENCES, LLC (US) 2024-04-16 US disclosed
US-20230391782-A1 INTERLEUKIN-17 INHIBITORS NOVARTIS AG (CH) 2023-12-07 US disclosed
US-20230108594-A1 EIF4E-INHIBITING COMPOUNDS AND METHODS OXFORD FINANCE LLC, AS COLLATERAL AGENT 2023-04-06 US disclosed
US-20230040259-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, LLC (US) 2023-02-09 US disclosed
US-20230040259-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, LLC (US) 2023-02-09 US disclosed
EP-3994139-A1 EIF4E-INHIBITING 4-OXO-3,4-DIHYDROPYRIDO[3,4-D]PYRIMIDINE COMPOUNDS Effector Therapeutics Inc. (US) 2022-05-11 EP disclosed
US-11286268-B1 EIF4E-inhibiting compounds and methods EFFECTOR THERAPEUTICS, INC. (US) 2022-03-29 US disclosed
US-11208409-B2 Substituted xanthines and methods of use thereof HYDRA BIOSCIENCES, LLC (US) 2021-12-28 US disclosed
US-5854249-A Opioid diarylmethylpiperazines and piperidines DELTA PHARMACEUTICALS, INC. (US) 1998-12-29 US disclosed
US-5658908-A RECEPTOR BINDING SPECIES FOR MEDIATING ANALGESIA, COMBATTING DRUG ADDICTION, DRUG OVERDOSE DELTA PHARMACEUTICALS, INC. (US) 1997-08-19 US disclosed
EP-0649414-A1 OPIOID DIARYLMETHYLPIPERAZINES AND PIPERIDINES THE WELLCOME FOUNDATION LIMITED (GB) 1995-04-26 EP disclosed
WO-1993015062-A1 OPIOID DIARYLMETHYLPIPERAZINES AND PIPERIDINES THE WELLCOME FOUNDATION LIMITED (GB) 1993-08-05 WO disclosed
US-5084458-A Bactericides, malaria and antitumor agents SCHAPER KLAUS JUERGEN (DE) 1992-01-28 US disclosed
US-4997835-A Bactericides, malaria, antitumor SCHAPER KLAUS JUERGEN (DE) 1991-03-05 US disclosed
US-4981861-A ANTIULCER HOFFMANN-LA ROCHE INC. (US) 1991-01-01 US disclosed
US-4634710-A ANTIULCER, ANTISECRETORY HOFFMANN-LA ROCHE INC. (US) 1987-01-06 US disclosed
US-4248880-A IMIDAZOLE OR THIAZOLE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 1981-02-03 US disclosed
US-4182766-A ANTIULCER AGENTS HOFFMANN-LA ROCHE INC. (US) 1980-01-08 US disclosed