SCHEMBL997122

SCHEMBL997122

CC1(C)C(=O)C2=CC=CCC2(C)C1(C)C

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
SCHEMBL504386 0.60
SCHEMBL22781191 0.60
SCHEMBL15658666 0.57
SCHEMBL15615229 0.57
SCHEMBL15615004 0.56 LMNA (0.38)
SCHEMBL15064149 0.54
SCHEMBL1400956 0.54
SCHEMBL8330112 0.53
SCHEMBL14086884 0.53
SCHEMBL28942157 0.53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7399318-B2 Stable composition for hair dye TAKASAGO INTERNATIONAL CORPORATION (JP) 2008-07-15 US claimed
EP-1714637-A2 Stable composition for hair dye comprising a fragrance Takasago International Corporation (JP) 2006-10-25 EP claimed
US-20060218730-A1 Stable composition for hair dye TAKASAGO INTERNATIONAL CORPORATION (JP) 2006-10-05 US claimed
CN-111876251-A Sweet orange oil essence and application thereof 广州和泉食品有限公司 2020-11-03 CN disclosed
EP-2020225-B1 Fragrance composition KAO CORP (JP) 2014-10-08 EP disclosed
EP-2272541-A1 AROMATIC AGENT COMPOSITION FOR OPENABLE STORAGE SPACE Kobayashi Pharmaceutical Co., Ltd. (JP) 2011-01-12 EP disclosed
EP-2263700-A1 AROMATIC AGENT COMPOSITION FOR OPENABLE STORAGE SPACE Kobayashi Pharmaceutical Co., Ltd. (JP) 2010-12-22 EP disclosed
EP-1721943-B1 Ink composition, inkjet recording method, printed material, process for producing lithographic printing plate, and lithographic printing plate FUJIFILM CORP (JP) 2010-05-12 EP disclosed
US-7538149-B2 Ink composition, inkjet recording method, printed material, process for producing lithographic printing plate, and lithographic printing plate FUJIFILM CORPORATION (JP) 2009-05-26 US disclosed
EP-2020225-A2 Fragrance composition Kao Corporation (JP) 2009-02-04 EP disclosed
US-7399318-B2 Stable composition for hair dye TAKASAGO INTERNATIONAL CORPORATION (JP) 2008-07-15 US disclosed
US-20060258776-A1 Ink composition, inkjet recording method, printed material, process for producing lithographic printing plate, and lithographic printing plate FUJI PHOTO FILM CO., LTD. 2006-11-16 US disclosed
EP-1721943-A1 Ink composition, inkjet recording method, printed material, process for producing lithographic printing plate, and lithographic printing plate FUJI PHOTO FILM CO., LTD. (JP) 2006-11-15 EP disclosed
EP-1714637-A2 Stable composition for hair dye comprising a fragrance Takasago International Corporation (JP) 2006-10-25 EP disclosed
US-20060218730-A1 Stable composition for hair dye TAKASAGO INTERNATIONAL CORPORATION (JP) 2006-10-05 US disclosed
US-20050245407-A1 Fragrance composition KAO CORPORATION (JP) 2005-11-03 US disclosed
EP-1552814-A1 FRAGRANCE COMPOSITION Kao Corporation (JP) 2005-07-13 EP disclosed