SCHEMBL126515

SCHEMBL126515

CC1(C)OC=CC(=O)O1

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
SCHEMBL3259944 0.80
SCHEMBL10719364 0.75 ALDH1A1 (0.30)
SCHEMBL9091284 0.74
SCHEMBL10894954 0.73 PTPN1 (0.31)
SCHEMBL25529234 0.70
SCHEMBL5281483 0.67 TSHR (0.43)
SCHEMBL8743328 0.64
SCHEMBL183127 0.63
SCHEMBL3834814 0.63
SCHEMBL3264430 0.61 ALDH1A1 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115947710-B Schiff base DASA molecular switch and synthesis method thereof 南京理工大学 2024-02-13 CN claimed
EP-0194840-B1 PROCESS FOR PRODUCING AN ALDEHYDELACTONE Chisso Corporation (JP) 1990-02-28 EP claimed
US-4672132-A Process for producing an aldehydelactone CHISSO CORPORATION (JP) 1987-06-09 US claimed
EP-0194840-A2 Process for producing an aldehydelactone Chisso Corporation (JP) 1986-09-17 EP claimed
JP-7285964-A None JP disclosed
CN-118184669-A Macrocyclic compounds as multi-target kinase inhibitors 北京伯汇生物技术有限公司 2024-06-14 CN disclosed
CN-115947710-B Schiff base DASA molecular switch and synthesis method thereof 南京理工大学 2024-02-13 CN disclosed
US-20230151003-A1 COMPOUNDS AND METHODS OF USE EXELIXIS INC (US) 2023-05-18 US disclosed
US-20230151003-A1 COMPOUNDS AND METHODS OF USE EXELIXIS INC (US) 2023-05-18 US disclosed
US-20230151003-A1 COMPOUNDS AND METHODS OF USE EXELIXIS INC (US) 2023-05-18 US disclosed
CN-116063310-A Furano [3,4-b ] indole derivative and synthesis method thereof 齐鲁工业大学 2023-05-05 CN disclosed
CN-115947710-A Schiff base DASA molecular switch and synthetic method thereof 南京理工大学 2023-04-11 CN disclosed
US-5256800-A Optically active 2,2-dimethyl-1,3-dioxin-4-ones and method for preparing same CHISSO CORPORATION (JP) 1993-10-26 US disclosed
US-5256800-A Optically active 2,2-dimethyl-1,3-dioxin-4-ones and method for preparing same CHISSO CORPORATION (JP) 1993-10-26 US disclosed
EP-0194840-B1 PROCESS FOR PRODUCING AN ALDEHYDELACTONE Chisso Corporation (JP) 1990-02-28 EP disclosed
US-4672132-A Process for producing an aldehydelactone CHISSO CORPORATION (JP) 1987-06-09 US disclosed
US-4672132-A Process for producing an aldehydelactone CHISSO CORPORATION (JP) 1987-06-09 US disclosed
EP-0194840-A2 Process for producing an aldehydelactone Chisso Corporation (JP) 1986-09-17 EP disclosed
EP-0194840-A2 Process for producing an aldehydelactone Chisso Corporation (JP) 1986-09-17 EP disclosed
US-4612379-A Process for producing 1,3-dioxin-4-one derivatives CHISSO CORPORATION (JP) 1986-09-16 US disclosed