SCHEMBL5409067

SCHEMBL5409067

CCSCC(C)SCC

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
SCHEMBL22296284 0.83
SCHEMBL3080545 0.77 MAPT (0.33)
SCHEMBL22042811 0.76
SCHEMBL12300593 0.74 MAPT (0.32)
SCHEMBL28543934 0.72 ROCK2 (0.42)
SCHEMBL576072 0.71
SCHEMBL2506346 0.71
Ammonia Solution, Strong SCHEMBL7240809 0.69
SCHEMBL28543292 0.69 TSHR (0.37)
SCHEMBL21669706 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7288269-B2 Asafetida extract as medicine for abstinence of drugs Wang, Yanding (CN) 2007-10-30 US claimed
US-20060078570-A1 Use of asafetida extract as medicine for abstinence of drugs WANG, YANDING (CN) 2006-04-13 US claimed
CN-112535277-A Oligosaccharide composition used as food ingredient and its preparation method 卡德纳生物股份有限公司 2021-03-23 CN disclosed
CN-112515178-A Oligosaccharide composition for nutritional composition and method for producing the same 卡德纳生物股份有限公司 2021-03-19 CN disclosed
US-9101696-B2 Immobilised biological entities W.L. GORE & ASSOCIATES, INC. (US) 2015-08-11 US disclosed
US-20120231043-A1 IMMOBILISED BIOLOGICAL ENTITIES CARMEDA AB (SE) 2012-09-13 US disclosed
US-7288269-B2 Asafetida extract as medicine for abstinence of drugs Wang, Yanding (CN) 2007-10-30 US disclosed
US-7288269-B2 Asafetida extract as medicine for abstinence of drugs Wang, Yanding (CN) 2007-10-30 US disclosed
US-20060078570-A1 Use of asafetida extract as medicine for abstinence of drugs WANG, YANDING (CN) 2006-04-13 US disclosed
US-20060078570-A1 Use of asafetida extract as medicine for abstinence of drugs WANG, YANDING (CN) 2006-04-13 US disclosed
US-5066778-A CARBON MONOXIDE/CYCLOPENTEN COPOLYMER AND PREPARATION WITH AROMATIC DINITRO COMPOUND SHELL OIL COMPANY (US) 1991-11-19 US disclosed