SCHEMBL1960185

SCHEMBL1960185

CC[N+]([O-])(CC)C(C)N

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
SCHEMBL11236256 0.76
SCHEMBL1867216 0.75
SCHEMBL6271455 0.71
SCHEMBL7657706 0.69 ALDH1A1 (0.33)
SCHEMBL14632999 0.67
Water SCHEMBL28248888 0.67 ALDH1A1 (0.32)
SCHEMBL27898010 0.67
Bromide SCHEMBL10578068 0.67 ALDH1A1 (0.32)
Iodide SCHEMBL28396597 0.67 ALDH1A1 (0.32)
SCHEMBL28035535 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110996900-A Skin film forming agent for cosmetic and cosmetic containing same 陶氏东丽株式会社 2020-04-10 CN disclosed
EP-2585033-A2 COSMETIC AND TOPICAL SKIN PREPARATION COMPRISING HIGHER ALCOHOL-MODIFIED SILICONE Dow Corning Toray Co., Ltd. (JP) 2013-05-01 EP disclosed
EP-2516511-A2 THICKENER OR GELLANT FOR OIL MATERIALS, GEL COMPOSITION COMPRISING SAME, AND METHOD OF PRODUCING COSMETIC MATERIAL OR TOPICAL AGENT Dow Corning Toray Co., Ltd. (JP) 2012-10-31 EP disclosed
EP-2507290-A1 PRODUCTION METHOD OF DEODORIZED POLYOXYALKYLENE-MODIFIED POLYSILOXANE COMPOSITION Dow Corning Toray Co., Ltd. (JP) 2012-10-10 EP disclosed
WO-2011136389-A2 COSMETIC AND TOPICAL SKIN PREPARATION COMPRISING HIGHER ALCOHOL-MODIFIED SILICONE DOW CORNING TORAY CO., LTD. (JP) 2011-11-03 WO disclosed
WO-2011078395-A2 THICKENER OR GELLANT FOR OIL MATERIALS, GEL COMPOSITION COMPRISING SAME, AND METHOD OF PRODUCING COSMETIC MATERIAL OR TOPICAL AGENT DOW CORNING TORAY CO., LTD. (JP) 2011-06-30 WO disclosed
WO-2011068251-A1 PRODUCTION METHOD OF DEODORIZED POLYOXYALKYLENE-MODIFIED POLYSILOXANE COMPOSITION DOW CORNING TORAY CO., LTD. (JP) 2011-06-09 WO disclosed
CN-101472979-A Polyether-modified organopolysiloxane, diorganopolysiloxane-polyether block copolymer, processes for producing these, and cosmetic DOW CORNING TORAY CO LTD (JP) 2009-07-01 CN disclosed