SCHEMBL1083174

SCHEMBL1083174

C=CCC(CCNCCO)NCCO

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
SCHEMBL8721186 0.83 LMNA (0.32)
Hydrochloric Acid SCHEMBL7264215 0.81 ABCC3 (0.34)
SCHEMBL1683508 0.79 LMNA (0.39)
Hydrochloric Acid SCHEMBL7170456 0.75
SCHEMBL11464224 0.69 SLC6A4 (0.36)
SCHEMBL3477742 0.65 TSHR (0.35)
SCHEMBL22162261 0.65 SIGMAR1 (0.31)
Diethanolamine SCHEMBL1836502 0.65
SCHEMBL1344675 0.65
Diethanolamine SCHEMBL7037644 0.65 TSHR (0.35)

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
EP-2269644-A2 Microfluidized oil-in-water emulsions and vaccine compositions Pfizer Products Inc. (US) 2011-01-05 EP disclosed
EP-1742659-A1 MICROFLUIDIZED OIL-IN-WATER EMULSIONS AND VACCINE COMPOSITIONS Pfizer Products Inc. (US) 2007-01-17 EP disclosed
US-7122191-B2 Microfluidized oil-in-water emulsions and vaccine compositions PFIZER INC. (US) 2006-10-17 US disclosed
EP-1613346-A2 MICROFLUIDIZED OIL-IN-WATER EMULSIONS AND VACCINE COMPOSITIONS Pfizer Products Inc. (US) 2006-01-11 EP disclosed
WO-2005097181-A1 MICROFLUIDIZED OIL-IN-WATER EMULSIONS AND VACCINE COMPOSITIONS PFIZER PRODUCTS INC. (US) 2005-10-20 WO disclosed
US-20050220814-A1 Microfluidized oil-in-water emulsions and vaccine compositions ZOETIS SERVICES LLC 2005-10-06 US disclosed
US-20040258701-A1 Microfluidized oil-in-water emulsions and vaccine compositions PFIZER INC. 2004-12-23 US disclosed
WO-2004087204-A2 MICROFLUIDIZED OIL-IN-WATER EMULSIONS AND VACCINE COMPOSITIONS PFIZER PRODUCTS INC. (US) 2004-10-14 WO disclosed