SCHEMBL5500627

SCHEMBL5500627

C=C[C@@H](O)[C@H](C)C=O

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
SCHEMBL5496462 1.00
SCHEMBL2163176 0.73
SCHEMBL21404222 0.73
SCHEMBL16182641 0.70
SCHEMBL16384863 0.69
SCHEMBL994791 0.69
SCHEMBL5500006 0.69
SCHEMBL5057417 0.69
SCHEMBL2608974 0.69
SCHEMBL12586784 0.69

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
EP-1754700-A2 Synthesis of oligoketides Kosan Biosciences, Inc. (US) 2007-02-21 EP claimed
US-20030096374-A1 Preparation of ketide ester; obtain benzoxazolone derivative, incubate with polyketide synthase, recover ketide oligomer ASHLEY GARY (US) 2003-05-22 US claimed
US-20030092140-A1 Novel polyketides and antibiotics ASHLEY GARY (US) 2003-05-15 US claimed
JP-2002535387-A 2002-10-22 JP claimed
EP-1144375-A2 SYNTHESIS OF OLIGOKETIDES Kosan Biosciences (US) 2001-10-17 EP claimed
WO-2000044717-A9 SYNTHESIS OF OLIGOKETIDES 2001-08-23 WO claimed
WO-2000044717-A2 SYNTHESIS OF OLIGOKETIDES KOSAN BIOSCIENCES, INC. (US) 2000-08-03 WO claimed