SCHEMBL41882

SCHEMBL41882

CC(C)(C)C(=O)OCN

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
SCHEMBL7096949 0.79 POLB (0.43)
SCHEMBL13846309 0.79
SCHEMBL26016142 0.79 CYP4F2 (0.35)
Hydrochloric Acid SCHEMBL3506265 0.77 POLB (0.42)
SCHEMBL31070129 0.77 PRKCA (0.35)
SCHEMBL15114242 0.77 PRKCA (0.36)
SCHEMBL4258156 0.77 POLB (0.48)
SCHEMBL681950 0.77 PRKCA (0.46)
SCHEMBL12972547 0.75 NPSR1 (0.41)
SCHEMBL12842576 0.75 PRKCA (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4958018-A REACTING A 3-HALOMETHYL-3-CEPHEM WITH A LEAD REDUCING AGENT OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1990-09-18 US claimed
EP-4400503-A2 NOVEL FXR (NR1H4) BINDING AND ACTIVITY MODULATING COMPOUNDS Gilead Sciences, Inc. (US) 2024-07-17 EP disclosed
CN-118354772-A Method for treating head and neck cancer 北京诺诚健华医药科技有限公司 2024-07-16 CN disclosed
WO-2024140687-A1 S1PR2 REGULATOR AND USE THEREOF 北京昌平实验室 2024-07-04 WO disclosed
CN-118255830-A S1PR2 modulators and uses thereof 北京昌平实验室 2024-06-28 CN disclosed
CN-115960109-B Preparation and application of condensed ring SHP2 phosphatase inhibitor 药雅科技(上海)有限公司 2024-06-25 CN disclosed
US-20240190864-A1 Bruton's Tyrosine Kinase (BTK) INHIBITOR AND APPLICATION THEREOF YA THERAPEUTICS INC (CN) 2024-06-13 US disclosed
EP-3636628-B1 13-OXIDIZED INGENOL DERIVATIVE AND USE THEREOF TIANJIN PHARMACEUTICAL DA REN TANG GROUP CORP LTD TRADITIONAL CHINESE MEDICINE RES INSTITUTE (CN) 2024-05-29 EP disclosed
WO-2024097897-A1 LXR MODULATORS WITH BICYCLIC CORE MOIETY FOR TREATING DYSLIPIDEMIAS ORSOBIO, INC. (US) 2024-05-10 WO disclosed
WO-2024088069-A1 PREPARATION FOR AROMATIC KRAS MUTANT PROTEIN INHIBITOR AND USE THEREOF 药雅科技(上海)有限公司 2024-05-02 WO disclosed
EP-0536936-B1 Pyrimidine nucleoside derivatives having anti-tumor activity, their preparation and use SANKYO CO (JP) 1996-08-14 EP disclosed
EP-0341694-B1 Method for production of 3-exomethylenecepham derivatives OTSUKA KAGAKU KK (JP) 1995-09-06 EP disclosed
US-5436242-A Tetrahydrothienopyridine derivatives, furo and pyrrolo analogs thereof for inhibiting blood platelet aggregation SANKYO COMPANY, LIMITED (JP) 1995-07-25 US disclosed
US-5321166-A Method for the production of aldehydes HOFFMANN-LA ROCHE INC. (US) 1994-06-14 US disclosed
US-5288726-A Tetrahydrothienopyridine derivatives, furo and pyrrolo analogs thereof and their preparation and uses for inhibiting blood platelet aggregation UBE INDUSTRIES LIMITED (JP) 1994-02-22 US disclosed
EP-0559034-A2 Process for the preparation of aldehydes F. HOFFMANN-LA ROCHE AG (CH) 1993-09-08 EP disclosed
EP-0542411-A2 Tetrahydrothienopyridine derivatives, furo and pyrrolo analogs thereof and their preparation and uses for inhibiting blood platelet aggregation Sankyo Company Limited (JP) 1993-05-19 EP disclosed
EP-0536936-A1 Pyrimidine nucleoside derivatives having anti-tumor activity, their preparation and use Sankyo Company Limited (JP) 1993-04-14 EP disclosed
US-4958018-A REACTING A 3-HALOMETHYL-3-CEPHEM WITH A LEAD REDUCING AGENT OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1990-09-18 US disclosed
EP-0341694-A2 Method for production of 3-exomethylenecepham derivatives OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1989-11-15 EP disclosed