SCHEMBL23409649

SCHEMBL23409649

OCCCCC(O)C(O)C(O)(CO)CCCCO

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
SCHEMBL21005 0.73 SPHK1 (0.45)
SCHEMBL4204710 0.72 SPHK1 (0.48)
SCHEMBL4204837 0.72 SPHK1 (0.48)
SCHEMBL28869453 0.72 SPHK1 (0.48)
SCHEMBL5172111 0.71 PTGS1 (0.39)
SCHEMBL3817338 0.71 LMNA (0.45)
SCHEMBL4967318 0.70 TRPV1 (0.38)
SCHEMBL11126683 0.70 TRPV1 (0.31)
SCHEMBL3399170 0.69 TRPV1 (0.41)
SCHEMBL9861848 0.69 PTGS1 (0.38)

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
WO-2021104643-A1 PRESERVATIVE COMPOSITION CURIOUS D.O.O. (HR) 2021-06-03 WO disclosed
WO-2021104643-A1 PRESERVATIVE COMPOSITION CURIOUS D.O.O. (HR) 2021-06-03 WO disclosed
WO-2021104643-A1 PRESERVATIVE COMPOSITION CURIOUS D.O.O. (HR) 2021-06-03 WO disclosed
EP-2646037-B1 use of polyanions to inhibit the cytotoxic activity of histones in the treatment of sepsis. UNIV AUSTRALIAN NATIONAL (AU) 2019-01-09 EP disclosed
CN-103402526-B Histone suppresses THE AUSTRALIAN NATIONAL UNIVERSITY (AU) 2016-01-20 CN disclosed
US-9226939-B2 Histone inhibition THE AUSTRALIAN NATIONAL UNIVERSITY (AU) 2016-01-05 US disclosed
US-20130338097-A1 HISTONE INHIBITION THE AUSTRALIAN NATIONAL UNIVERSITY (AU) 2013-12-19 US disclosed
CN-103402526-A Histone inhibition UNIV AUSTRALIAN 2013-11-20 CN disclosed