SCHEMBL5074697

SCHEMBL5074697

CC(=CC(C)C)C(C)OC(C)(C)CO

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
SCHEMBL8238075 0.83
SCHEMBL8234929 0.78
SCHEMBL8246760 0.78
SCHEMBL8292860 0.77
SCHEMBL18039296 0.75
SCHEMBL5076665 0.72 TSHR (0.41)
SCHEMBL5076657 0.72
SCHEMBL2944213 0.71 ALDH1A1 (0.32)
SCHEMBL31412820 0.70 ADRB2 (0.33)
SCHEMBL2958602 0.68

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119384405-A Process for preparing ether, thioether or secondary amine derivatives in the presence of heterogeneous acidic catalysts 弗门尼舍有限公司 2025-01-28 CN disclosed
US-7384906-B2 Aliphatic compounds as fragrants with musk characteristics GIVANDAN SA (CH) 2008-06-10 US disclosed
EP-1565420-B1 ALIPHATIC COMPOUNDS AS FRAGRANTS WITH MUSK CHARACTERISTICS GIVAUDAN SA (CH) 2006-10-18 EP disclosed
US-20060052277-A1 Aliphatic compounds as fragrants with musk characteristics GIVAUDAN SA (CH) 2006-03-09 US disclosed
EP-1565420-A1 ALIPHATIC COMPOUNDS AS FRAGRANTS WITH MUSK CHARACTERISTICS Givaudan SA (CH) 2005-08-24 EP disclosed
WO-2004050595-A1 ALIPHATIC COMPOUNDS AS FRAGRANTS WITH MUSK CHARACTERISTICS GIVAUDAN SA (CH) 2004-06-17 WO disclosed