SCHEMBL3396865

SCHEMBL3396865

O=C(O)C1=CC(C(=O)O)CN=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
Hydrochloric Acid SCHEMBL7218919 0.98
Hydrochloric Acid SCHEMBL8537113 0.98
SCHEMBL1355394 0.65
SCHEMBL15040620 0.63 ALDH1A1 (0.38)
SCHEMBL8472068 0.63 ALDH1A1 (0.38)
SCHEMBL23829741 0.63
SCHEMBL1353549 0.61 GABRR1 (0.31)
SCHEMBL23048514 0.61 GABRR1 (0.31)
SCHEMBL2301069 0.60
SCHEMBL31332023 0.60

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12233053-B2 Adenosine A3 receptor antagonists for treating aging skin and wounds ORADIN PHARMACEUTICAL LTD. (IL) 2025-02-25 US claimed
EP-2229167-A1 MINERALOCORTICOID RECEPTOR MODULATORS Merck Sharp & Dohme Corp. (US) 2010-09-22 EP claimed
WO-2009078934-A1 MINERALOCORTICOID RECEPTOR MODULATORS MERCK & CO., INC. (US) 2009-06-25 WO claimed
EP-0225175-A2 Dihydropyridine derivatives, processes for their preparation and pharmaceutical compositions thereof FISONS plc (GB) 1987-06-10 EP claimed
US-20250179130-A1 METHODS AND SYSTEMS FOR DESIGNING AND/OR CHARACTERIZING SOLUBLE LIPIDATED LIGAND AGENTS ON TARGET THERAPEUTICS LLC 2025-06-05 US disclosed
US-20250101104-A1 BISPECIFIC MOLECULE WITH TUNABLE AFFINITY TO A TARGETED ANTIGEN MABSWITCH INC (US) 2025-03-27 US disclosed
US-12060397-B2 Soluble lipidated ligand agents for treating eye inflammation TUFTS MEDICAL CENTER (US) 2024-08-13 US disclosed
US-20240139205-A1 MODULATORS OF ARALAR FOR TREATING NEUROLOGICAL DISORDERS UNIVERSITE DE LAUSANNE (CH) 2024-05-02 US disclosed
WO-2024069007-A2 IMMUNOSUPPRESSIVE COMPOUNDS UNIVERSITÄT BASEL (CH) 2024-04-04 WO disclosed
EP-4175646-A1 MODIFIED ADENOSINE NUCLEOSIDE FOR USE IN THE TREATMENT OF VIRAL INFECTIONS Iachettini, Giampietro (IT) 2023-05-10 EP disclosed
CN-115803033-A Modified adenosine nucleosides for the treatment of viral infections 詹皮特罗·亚切蒂尼 2023-03-14 CN disclosed
US-20220135633-A1 METHODS AND SYSTEMS FOR DESIGNING AND/OR CHARACTERIZING SOLUBLE LIPIDATED LIGAND AGENTS ON TARGET THERAPEUTICS LLC 2022-05-05 US disclosed
US-4994476-A Hypotensive agents BRISTOL-MYERS COMPANY (US) 1991-02-19 US disclosed
EP-0371492-A2 Process for the preparation of 1,4-dihydropyridine derivatives NISSHIN FLOUR MILLING CO., LTD. (JP) 1990-06-06 EP disclosed
EP-0324626-A1 1,4-Dihydropyridine derivatives Korea Research Institute of Chemical Technology (KR) 1989-07-19 EP disclosed
US-4769465-A Process for the preparation of 2-(N-benzyl-N-methylamino)-ethyl methyl 2,6-dimethyl-4-(m-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate and its hydrochloride salt LEK, TOVARNA FARMACEVTSKIH IN KEMICNIH IZDELKOV, N.SOL.O. (YU) 1988-09-06 US disclosed
EP-0197488-A2 1,4-Dihydropyiridine derivative, a process for preparing the same, a pharmaceutical composition as well as the use thereof Eisai Co., Ltd. (JP) 1986-10-15 EP disclosed
EP-0161877-A2 1,4-dihydropyridine derivatives, methods for their production and pharmaceutical compositions comprising the same FUJIREBIO KABUSHIKI KAISHA also trading as FUJIREBIO INC. (JP) 1985-11-21 EP disclosed
US-4483985-A ALKALINE HYDROLYSIS OF ESTER GROUP BAYER AKTIENGESELLSCHAFT (DE) 1984-11-20 US disclosed
US-4285955-A CARDIOTONIC, HYPOTENSIVE, AND ANTISPASMOTIC AGENTS; VASODILATION BAYER AKTIENGESELLSCHAFT (DE) 1981-08-25 US disclosed