SCHEMBL548843

SCHEMBL548843

C=CC[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
SCHEMBL17542246 1.00
SCHEMBL548844 1.00
SCHEMBL13978920 0.76
SCHEMBL8322115 0.76
SCHEMBL2153981 0.75
SCHEMBL2614303 0.75 TP53 (0.32)
SCHEMBL675611 0.75
SCHEMBL790603 0.75
SCHEMBL4584154 0.75 TP53 (0.32)
SCHEMBL12808547 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118652259-A New total synthesis method of ixabepilone (Ixabepilone) and derivatives thereof 南方科技大学 2024-09-17 CN disclosed
US-12024529-B2 Compounds that inhibit MCL-1 protein AMGEN INC. (US) 2024-07-02 US disclosed
US-12024529-B2 Compounds that inhibit MCL-1 protein AMGEN INC. (US) 2024-07-02 US disclosed
US-12024529-B2 Compounds that inhibit MCL-1 protein AMGEN INC. (US) 2024-07-02 US disclosed
US-20230271981-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN AMGEN INC. (US) 2023-08-31 US disclosed
US-20230271981-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN AMGEN INC. (US) 2023-08-31 US disclosed
US-20230271981-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN AMGEN INC. (US) 2023-08-31 US disclosed
US-11685747-B2 Compounds that inhibit MCL-1 protein AMGEN INC. (US) 2023-06-27 US disclosed
US-11685747-B2 Compounds that inhibit MCL-1 protein AMGEN INC. (US) 2023-06-27 US disclosed
US-11685747-B2 Compounds that inhibit MCL-1 protein AMGEN INC. (US) 2023-06-27 US disclosed
US-20040053995-A1 Synthesis of epothilones, intermediates thereto and analogues thereof SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH 2004-03-18 US disclosed
WO-2004018478-A2 SYNTHESIS OF EPOTHILONES, INTERMEDIATES THERETO, ANALOGUES AND USES THEREOF SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2004-03-04 WO disclosed
US-20030134883-A1 14-Methyl-epothilones KOSAN BIOSCIENCES,INC. 2003-07-17 US disclosed
US-6589968-B2 Anticancer, antiproliferative and antiarthritic agents KOSAN BIOSCIENCES, INC. 2003-07-08 US disclosed
WO-2003045324-A2 14-METHYL-EPOTHILONES KOSAN BIOSCIENCES, INC. (US) 2003-06-05 WO disclosed
US-20030045711-A1 Epothilone derivatives and methods for making and using the same KOSAN BIOSCIENCES, INC. 2003-03-06 US disclosed
US-20020193361-A1 Epothilone derivatives and methods for making and using the same KOSAN BIOSCIENCES, INC. 2002-12-19 US disclosed
US-6489314-B1 DUE TO THE INCREASING INTEREST IN EPOTHILONES AS ANTI-CANCER AGENTS, NOVEL DERIVATIVES OF THESE COMPOUNDS ARE NEEDED AND DESIRED TO MORE FULLY DEVELOP THEIR THERAPEUTIC POTENTIAL KOSAN BIOSCIENCES, INC. 2002-12-03 US disclosed
US-20020156110-A1 Epothilone compounds and methods for making and using the same KOSAN BIOSCIENCES, INC. 2002-10-24 US disclosed
WO-2002080846-A2 EPOTHILONE DERIVATIVES AND METHODS FOR MAKING AND USING THE SAME KOSAN BIOSCIENCES, INC. (US) 2002-10-17 WO disclosed