SCHEMBL2552774

SCHEMBL2552774

C[13C]=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
SCHEMBL1561 1.00
SCHEMBL8829599 0.93
SCHEMBL3963367 0.93
SCHEMBL135172 0.93
SCHEMBL224443 0.93
SCHEMBL25405176 0.93
SCHEMBL133773 0.93
SCHEMBL22092371 0.93
SCHEMBL21409672 0.93
SCHEMBL1196383 0.93

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8481575-B2 Synthesis of epothilones, intermediates thereto, analogues and uses thereof SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2013-07-09 US disclosed
EP-1386922-B1 Synthesis of epothilones, intermediates thereof, analogues and uses thereof SLOAN KETTERING INST CANCER (US) 2012-04-11 EP disclosed
US-20110263663-A1 SYNTHESIS OF EPOTHILONES, INTERMEDIATES THERETO, ANALOGUES AND USES THEREOF SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2011-10-27 US disclosed
US-RE41990-E1 Synthesis of epothilones, intermediates thereto, analogues and uses thereof SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2010-12-07 US disclosed
US-20100240721-A1 SYNTHESIS OF EPOTHILONES, INTERMEDIATES THERETO, ANALOGUES AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-09-23 US disclosed
US-7750164-B2 Synthesis of epothilones, intermediates thereto, analogues and uses thereof SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2010-07-06 US disclosed
US-20080004450-A1 Synthesis of epothilones, intermediates thereto, analogues and uses thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-01-03 US disclosed
US-6972335-B2 Synthesis of epothilones, intermediates thereto, analogues and uses thereof SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2005-12-06 US disclosed
US-6965034-B2 Synthesis of epothilones, intermediates thereto and analogues thereof SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2005-11-15 US disclosed
EP-1058679-B1 SYNTHESIS OF EPOTHILONES, INTERMEDIATES THERETO AND ANALOGUES THEROF SLOAN KETTERING INST CANCER (US) 2005-10-19 EP disclosed
US-6300355-B1 FOR THERAPY OF CANCER SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH 2001-10-09 US disclosed
US-6284781-B1 ANTICANCER AGENT SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH 2001-09-04 US disclosed
US-6242469-B1 ANTICARCINOGENIC AGENTS FOR MULTIDRUG RESISTANT CELLS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH 2001-06-05 US disclosed
EP-0977563-A4 SYNTHESIS OF EPOTHILONES, INTERMEDIATES THERETO, ANALOGUES AND USES THEREOF SLOAN KETTERING INST CANCER (US) 2001-04-25 EP disclosed
US-6204388-B1 USING BLOCKING AGENT SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH 2001-03-20 US disclosed
EP-1058679-A1 SYNTHESIS OF EPOTHILONES, INTERMEDIATES THERETO AND ANALOGUES THEROF Sloan-Kettering Institute For Cancer Research (US) 2000-12-13 EP disclosed
EP-0977563-A1 SYNTHESIS OF EPOTHILONES, INTERMEDIATES THERETO, ANALOGUES AND USES THEREOF Sloan-Kettering Institute For Cancer Research (US) 2000-02-09 EP disclosed
WO-1999043653-A1 SYNTHESIS OF EPOTHILONES, INTERMEDIATES THERETO AND ANALOGUES THEROF SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1999-09-02 WO disclosed
WO-1999001124-A9 SYNTHESIS OF EPOTHILONES, INTERMEDIATES THERETO, ANALOGUES AND USES THEREOF SLOAN KETTERING INST CANCER (US) 1999-05-14 WO disclosed
WO-1999001124-A1 SYNTHESIS OF EPOTHILONES, INTERMEDIATES THERETO, ANALOGUES AND USES THEREOF SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1999-01-14 WO disclosed