SCHEMBL1536734

SCHEMBL1536734

CCOC(C)(C)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
SCHEMBL23547530 0.79 TDP1 (0.32)
SCHEMBL4084863 0.78
SCHEMBL2275108 0.77 TDP1 (0.30)
SCHEMBL9843437 0.75
SCHEMBL9843443 0.75
SCHEMBL10869033 0.74 ATM (0.37)
SCHEMBL6716656 0.73 ALDH1A1 (0.32)
SCHEMBL29242155 0.72
SCHEMBL604333 0.71
SCHEMBL10859017 0.71 ALDH1A1 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1347325-A Novel amide derivatives as growth hormone secretagogues KAKEN PHARMA CO LTD (JP) 2002-05-01 CN claimed
EP-3912979-B1 TYROSINE KINASE INHIBITORS PRINCIPIA BIOPHARMA INC (US) 2026-03-25 EP disclosed
US-20250197402-A1 Tyrosine Kinase Inhibitors PRINCIPIA BIOPHARMA INC. (US) 2025-06-19 US disclosed
US-20240383914-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE AND METHODS OF THEIR USE JANSSEN PHARMACEUTICA NV (BE) 2024-11-21 US disclosed
US-12065446-B2 Inhibitors of Bruton's tyrosine kinase and method of their use JANSSEN PHARMACEUTICA NV (BE) 2024-08-20 US disclosed
CN-113149983-B Tyrosine kinase inhibitors 普林斯匹亚生物制药公司 2024-03-29 CN disclosed
US-20230151012-A1 TYROSINE KINASE INHIBITORS PRINCIPIA BIOPHARMA INC. (US) 2023-05-18 US disclosed
US-20230097422-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE AND METHOD OF THEIR USE JANSSEN PHARMACEUTICA NV (BE) 2023-03-30 US disclosed
EP-4112618-A1 TYROSINE KINASE INHIBITORS Principia Biopharma Inc. (US) 2023-01-04 EP disclosed
CN-113121562-B Polycyclic compounds as inhibitors of bruton's tyrosine kinase 詹森药业有限公司 2022-09-13 CN disclosed
WO-2007142576-A1 2-THIOXANTHINE DERIVATIVES ACTING AS MPO-INHIBITORS ASTRAZENECA AB (SE) 2007-12-13 WO disclosed
EP-1824855-A1 NOVEL PYRROLO [3, 2-D]PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE IN THERAPY AstraZeneca AB (SE) 2007-08-29 EP disclosed
WO-2006062465-A1 NOVEL PYRROLO [3, 2-D] PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE IN THERAPY ASTRAZENECA AB (SE) 2006-06-15 WO disclosed
CN-1347325-A Novel amide derivatives as growth hormone secretagogues KAKEN PHARMA CO LTD (JP) 2002-05-01 CN disclosed
US-4639436-A Antidiabetic 3,4,5-trihydroxypiperidines BAYER AKTIENGESELLSCHAFT (DE) 1987-01-27 US disclosed
EP-0018161-B1 ALDEHYDE-ETHERS AND PROCESS FOR THEIR PRODUCTION DAVY McKEE (LONDON) LIMITED (GB) 1983-05-25 EP disclosed
EP-0008058-B1 N-AMINO-3,4,5-TRIHYDROXYPIPERIDINES, METHODS FOR THEIR PREPARATION, MEDICAMENTS CONTAINING THEM, METHOD FOR THE PRODUCTION OF THE MEDICAMENTS AND ANIMAL FEEDSTUFF CONTAINING SAID COMPOUNDS BAYER AG (DE) 1982-08-18 EP disclosed
US-4293551-A N-Amino-3,4,5-trihydroxypiperidines, their production and their medicinal use BAYER AKTIENGESELLSCHAFT (DE) 1981-10-06 US disclosed
US-4260622-A Animal feedstuffs employing 3,4,5-trihydroxypiperidines BAYER AKTIENGESELLSCHAFT (DE) 1981-04-07 US disclosed
US-4199572-A DERIVATIVES OF SISOMICINS BAYER AKTIENGESELLSCHAFT (DE) 1980-04-22 US disclosed