SCHEMBL1867216

SCHEMBL1867216

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

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
SCHEMBL29105079 0.78 LSS (0.45)
SCHEMBL1960185 0.75
SCHEMBL87522 0.73
SCHEMBL7473067 0.69 ALDH1A1 (0.32)
SCHEMBL901753 0.67
SCHEMBL908843 0.65
SCHEMBL11236256 0.65
Bromide SCHEMBL8994521 0.63
Hydrochloric Acid SCHEMBL1046383 0.63
SCHEMBL28035535 0.63

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
WO-2014185927-A1 CLEANER COMPOSITION COLGATE-PALMOLIVE COMPANY (US) 2014-11-20 WO disclosed
US-8765655-B2 Degreasing all purpose cleaning compositions and methods COLGATE-PALMOLIVE COMPANY (US) 2014-07-01 US disclosed
EP-2245128-B1 DEGREASING ALL PURPOSE CLEANING COMPOSITIONS AND METHODS COLGATE PALMOLIVE CO (US) 2014-05-21 EP disclosed
US-20110105377-A1 DEGREASING ALL PURPOSE CLEANING COMPOSITIONS AND METHODS COLGATE-PALMOLIVE COMPANY (US) 2011-05-05 US disclosed
EP-2245128-A1 DEGREASING ALL PURPOSE CLEANING COMPOSITIONS AND METHODS Colgate-Palmolive Company (US) 2010-11-03 EP disclosed
WO-2009078867-A1 DEGREASING ALL PURPOSE CLEANING COMPOSITIONS AND METHODS COLGATE-PALMOLIVE COMPANY (US) 2009-06-25 WO disclosed