SCHEMBL2470159

SCHEMBL2470159

C=CCO[C@H]1O[C@H](C)[C@@H]2OC(C)(C)O[C@@H]2[C@H]1OC

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
SCHEMBL17773551 0.84
SCHEMBL26824196 0.78
SCHEMBL6743931 0.76
SCHEMBL26759650 0.75
SCHEMBL22282368 0.75
SCHEMBL26824200 0.75
SCHEMBL1972669 0.75
SCHEMBL9294840 0.74
SCHEMBL18940522 0.73 AMY1A (0.31)
SCHEMBL23867745 0.71 BCHE (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9310366-B2 Anthrax carbohydrates, synthesis and uses thereof UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2016-04-12 US disclosed
US-20130260402-A1 ANTHRAX CARBOHYDRATES, SYNTHESIS AND USES THEREOF THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES, CENTERS FOR DISEASE CONTROL AND PREVENTION (WASHINGTON D.C.) 2013-10-03 US disclosed
US-8420607-B2 Anthrax carbohydrates, synthesis and uses thereof UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2013-04-16 US disclosed
EP-2044194-B1 ANTHRAX CARBOHYDRATES, SYNTHESIS AND USES THEREOF UNIV GEORGIA (US) 2011-10-05 EP disclosed
EP-2264143-A2 Anthrax carbohydrates, synthesis and uses thereof University Of Georgia Research Foundation, Inc. (US) 2010-12-22 EP disclosed
US-20100233174-A9 Anthrax carbohydrates, synthesis and uses thereof THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES, CENTERS FOR DISEASE CONTROL AND PREVENTION (WASHINGTON D.C.) 2010-09-16 US disclosed
US-20090246200-A1 Anthrax carbohydrates, synthesis and uses thereof CARLSON RUSSELL W 2009-10-01 US disclosed