SCHEMBL4936290

SCHEMBL4936290

NC1=C(O)C(=O)CC1

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
SCHEMBL10946917 0.83
SCHEMBL2862352 0.77 KDM4E (0.40)
SCHEMBL6738847 0.65 TYR (0.39)
SCHEMBL2028133 0.65
SCHEMBL4755684 0.65
SCHEMBL10864094 0.65
SCHEMBL6513884 0.63
SCHEMBL9795604 0.63
Hydrochloric Acid SCHEMBL2032274 0.63
SCHEMBL3884483 0.60

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7416868-B2 Polyene polyketides, processes for their production and their use as a pharmaceutical THALLION PHARMACEUTICALS, INC. (CA) 2008-08-26 US disclosed
US-7375088-B2 Polyene polyketides, processes for their production and their use as a pharmaceutical THALLION PHARMACEUTICALS INC. (CA) 2008-05-20 US disclosed
US-20080010025-A1 System, knowledge repository and computer-readable medium for identifying a secondary metabolite from a microorganism THALLION PHARMACEUTICALS INC. (CA) 2008-01-10 US disclosed
US-20070275436-A1 Polyene polyketides, processes for their production and their use as a pharmaceutical ECOPIA BIOSCIENCES, INC. 2007-11-29 US disclosed
US-7300921-B2 Polyene polyketides and methods of production ECOPIA BIOSCIENCES, INC. (CA) 2007-11-27 US disclosed
EP-1585752-B1 POLYENE POLYKETIDES, PROCESSES FOR THEIR PRODUCTION AND THEIR USE AS A PHARMACEUTICAL THALLION PHARMACEUTICALS INC (CA) 2007-11-21 EP disclosed
US-20070061084-A1 Method, system, and knowledge repository for identifying a secondary metabolite from a microorganism ECOPIA BIOSCIENCES, INC. 2007-03-15 US disclosed
EP-1539962-A4 POLYENE POLYKETIDES AND METHODS OF PRODUCTION ECOPIA BIOSCIENCES INC (CA) 2006-12-27 EP disclosed
EP-1585752-A1 POLYENE POLYKETIDES, PROCESSES FOR THEIR PRODUCTION AND THEIR USE AS A PHARMACEUTICAL Ecopia Biosciences Inc. (CA) 2005-10-19 EP disclosed
US-20050187167-A1 Polyene polyketides, processes for their production and their use as a pharmaceutical ECOPIA BIOSCIENCES, INC. 2005-08-25 US disclosed
WO-2005024025-A1 POLYENE POLYKETIDES AND METHODS OF PRODUCTION ECOPIA BIOSCIENCES INC. (CA) 2005-03-17 WO disclosed
EP-1470241-A2 METHOD, SYSTEM AND KNOWLEDGE REPOSITORY FOR IDENTIFYING A SECONDARY METABOLITE FROM A MICROORGANISM Ecopia Biosciences Inc. (CA) 2004-10-27 EP disclosed
WO-2004065401-A1 POLYENE POLYKETIDES, PROCESSES FOR THEIR PRODUCTION AND THEIR USE AS A PHARMACEUTICAL ECOPIA BIOSCIENCES INC. (CA) 2004-08-05 WO disclosed
US-20030180766-A1 Method, system and knowledge repository for identifying a secondary metabolite from a microorganism ECOPIA BIOSCIENCES, INC. 2003-09-25 US disclosed
WO-2003062458-A2 METHOD, SYSTEM AND KNOWLEDGE REPOSITORY FOR IDENTIFYING A SECONDARY METABOLITE FROM A MICROORGANISM ECOPIA BIOSCIENCES INC. (CA) 2003-07-31 WO disclosed
US-4582940-A Chemical process POLAROID CORPORATION (US) 1986-04-15 US disclosed
US-4371603-A PHOTOGRAPHIC PRODUCTS POLAROID CORPORATION (US) 1983-02-01 US disclosed
EP-0055900-A1 Amino hydroxy cyclo hexenones and their use as developing agents POLAROID CORPORATION (US) 1982-07-14 EP disclosed
US-4304934-A Synthesis of amino hydroxy cyclopentenones POLAROID CORPORATION (US) 1981-12-08 US disclosed
US-4304934-A Synthesis of amino hydroxy cyclopentenones POLAROID CORPORATION (US) 1981-12-08 US disclosed