SCHEMBL4851111

SCHEMBL4851111

CC(C)(C)/C=N/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
SCHEMBL5836623 1.00
SCHEMBL1269042 1.00
Methane SCHEMBL8093397 0.96
Carbamic Acid SCHEMBL11289777 0.83 ACHE (0.37)
Carbamic Acid SCHEMBL11289771 0.83 ACHE (0.37)
SCHEMBL10934768 0.79 POLB (0.35)
SCHEMBL22450947 0.77 ALDH1A1 (0.43)
SCHEMBL11373067 0.74
SCHEMBL11373069 0.74
SCHEMBL23248644 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4138422-A UREAS AND CARBAMATES FROM ISOCYANATES ON AN INERT SOLID GRANULAR MATERIAL UNION CARBIDE CORPORATION (US) 1979-02-06 US claimed
US-20250257056-A1 ALPHA-D-GALACTOPYRANOSIDE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2025-08-14 US disclosed
US-12319672-B2 Alpha-D-galactopyranoside derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2025-06-03 US disclosed
US-20240368150-A1 BICYCLIC TETRAHYDROAZEPINE DERIVATIVES FOR THE TREATMENT OF CANCER HOFFMANN-LA ROCHE INC. (US) 2024-11-07 US disclosed
US-20240158384-A1 CB2 RECEPTOR AGONISTS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2024-05-16 US disclosed
EP-4021904-B1 ALPHA-D-GALACTOPYRANOSIDE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2024-01-03 EP disclosed
CN-116964048-A Bicyclic tetrahydroazepine derivatives for the treatment of cancer 豪夫迈·罗氏有限公司 2023-10-27 CN disclosed
US-20230234954-A1 COMPOUND USED AS RET KINASE INHIBITOR AND APPLICATION THEREOF TYK MEDICINES, INC. (CN) 2023-07-27 US disclosed
US-20230234954-A1 COMPOUND USED AS RET KINASE INHIBITOR AND APPLICATION THEREOF TYK MEDICINES, INC. (CN) 2023-07-27 US disclosed
US-20220281855-A1 ALPHA-D-GALACTOPYRANOSIDE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2022-09-08 US disclosed
EP-0158153-A2 Process for the preparation of N-hydroxy organo imidate compounds ALLIED CORPORATION (US) 1985-10-16 EP disclosed
EP-0093332-B1 METHOD FOR THE PREPARATION OF 2,2-DIMETHYL-PROPANE NITRILE BAYER AG (DE) 1985-08-21 EP disclosed
US-4495369-A REACTION OF NEOPENTANOL AND AMMONIA USING A HYDROGENATION CATALYST BAYER AKTIENGESELLSCHAFT (DE) 1985-01-22 US disclosed
EP-0093332-A1 Method for the preparation of 2,2-dimethyl-propane nitrile BAYER AG (DE) 1983-11-09 EP disclosed
EP-0022532-B1 PROCESS FOR THE PREPARATION OF NEOPENTYLAMINE BAYER AG (DE) 1983-02-16 EP disclosed
EP-0002480-B1 PROCESS FOR PREPARATION OF 1,2-OXAZOLE DERIVATIVES BASF Aktiengesellschaft (DE) 1982-06-09 EP disclosed
EP-0022532-A1 Process for the preparation of neopentylamine BAYER AG (DE) 1981-01-21 EP disclosed
EP-0002881-A1 5-Isoxazolylurea derivatives, their preparation, their use and compositions containing them FISONS plc (GB) 1979-07-11 EP disclosed
EP-0002480-A1 Process for preparation of 1,2-oxazole derivatives BASF Aktiengesellschaft (DE) 1979-06-27 EP disclosed
US-4138422-A UREAS AND CARBAMATES FROM ISOCYANATES ON AN INERT SOLID GRANULAR MATERIAL UNION CARBIDE CORPORATION (US) 1979-02-06 US disclosed