SCHEMBL418236

SCHEMBL418236

C#COC(C)=O

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
Benzene SCHEMBL7322528 0.91 ALDH1A1 (0.33)
Cyclohexane SCHEMBL9349718 0.91 ALDH1A1 (0.33)
SCHEMBL3012666 0.75
SCHEMBL3869793 0.72 ALDH1A1 (0.44)
SCHEMBL2075424 0.72
SCHEMBL372342 0.72
SCHEMBL821028 0.71
Bicarbonate SCHEMBL18149082 0.71 HSD17B10 (0.38)
SCHEMBL10955312 0.69
SCHEMBL372343 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3860999-B1 DERIVATIVES OF RELEBACTAM AND USES THEREOF ARIXA PHARMACEUTICALS INC (US) 2024-06-05 EP claimed
EP-3426246-B1 THIAZOLIDINONE COMPOUNDS AND USE THEREOF NATIONAL HEALTH RES INST (TW) 2024-05-01 EP claimed
EP-4101832-B1 A PROCESS FOR PREPARING 2-(1,5,5-TRIMETHYL-2-CYCLOPENTENYL)ETHYL ACETATE SHINETSU CHEMICAL CO (JP) 2023-11-15 EP claimed
EP-3856747-B1 SUBSTITUTED PYRIDOINDOLES FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTION HOFFMANN LA ROCHE (CH) 2023-07-19 EP claimed
EP-3749739-B1 DETERGENT COMPOSITION HAVING A FLOW LIMIT HENKEL AG & CO KGAA (DE) 2023-06-21 EP claimed
EP-3632443-B1 ANTI-TUMOR EFFECT POTENTIATOR USING A BIPHENYL COMPOUND TAIHO PHARMACEUTICAL CO LTD (JP) 2023-06-07 EP claimed
EP-3381896-B1 BIPHENYL COMPOUND OR SALT THEREOF TAIHO PHARMACEUTICAL CO LTD (JP) 2023-01-18 EP claimed
EP-3494152-B1 POLYMER BLENDS FOR EPOXY RESINS COMPOSITIONS SIKA TECH AG (CH) 2022-04-27 EP claimed
EP-2794129-B1 INCREASE IN EFFICIENCY WITH DEVICES FOR SIZE-SEPARATION OF SOLID PARTICLES SIKA TECH AG (CH) 2021-07-14 EP claimed
EP-3490707-B1 CATALYST BASED ON AN ORGANIC COMPOUND AND THE USE THEREOF IN A PROCESS OF HYDROTREATING AND/OR HYDROCRACKING IFP ENERGIES NOW (FR) 2021-04-14 EP claimed
EP-0042556-B1 PROCESS FOR THE MANUFACTURE OF ALKYLHYDRAZONE CATIONIC DYES AND THEIR DYESTUFF BASES BAYER AG (DE) 1984-02-08 EP claimed
EP-0021176-B1 CEPHALOSPORIN DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Dr. Karl Thomae GmbH (DE) 1984-01-18 EP claimed
EP-0035161-B1 CEPHALOSPORINS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS Dr. Karl Thomae GmbH (DE) 1983-11-23 EP claimed
EP-0007508-B1 ACYLPHOSPHINOXIDE COMPOUNDS, THEIR PREPARATION AND THEIR USE BASF Aktiengesellschaft (DE) 1983-06-01 EP claimed
EP-0022494-B1 BETA-LACTAM-COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THERAPEUTIC AGENTS CONTAINING THEM Dr. Karl Thomae GmbH (DE) 1983-02-23 EP claimed
EP-0005051-B1 4-DESACETYL VLB C-3 CARBOXHYDRAZIDES, THEIR PREPARATION AND FORMULATIONS CONTAINING THEM ELI LILLY AND COMPANY (US) 1982-12-01 EP claimed
EP-0005348-B1 CARBAPENEM DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BEECHAM GROUP PLC (GB) 1982-09-22 EP claimed
EP-0014976-B1 N-SUBSTITUTED 2-CYANAZIRIDINES, METHODS FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM, CORRESPONDINGLY SUBSTITUTED AZIRIDINE-2-CARBONAMIDES AND THEIR PREPARATION Roche Diagnostics GmbH (DE) 1982-04-07 EP claimed
EP-0017132-B1 DYESTUFFS, THEIR PREPARATION AND UTILISATION BASF Aktiengesellschaft (DE) 1981-10-14 EP claimed
EP-0034536-A2 Oxime derivatives of 3-alkyloxy- or 3-alkylthiomethyl 7-amino-thiazolylacetamido cephalosporanic acid, their preparation, their use as medicaments and compositions containing them ROUSSEL-UCLAF (FR) 1981-08-26 EP claimed