SCHEMBL1614911

SCHEMBL1614911

C=CC[C@H]1OC[C@@H](N)[C@@H](C)O1

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
SCHEMBL12714106 0.81 TDP1 (0.31)
SCHEMBL14528335 0.72
SCHEMBL5164659 0.70 ALDH1A1 (0.39)
SCHEMBL3736600 0.69
SCHEMBL1376826 0.68
SCHEMBL1613607 0.68
SCHEMBL9894639 0.67
Ammonia Solution, Strong SCHEMBL1614980 0.67
SCHEMBL12714007 0.67
SCHEMBL7995903 0.66

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8309599-B2 Synthesis of FR901464 and analogs with antitumor activity UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2012-11-13 US disclosed
US-8309599-B2 Synthesis of FR901464 and analogs with antitumor activity UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2012-11-13 US disclosed
US-8309599-B2 Synthesis of FR901464 and analogs with antitumor activity UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2012-11-13 US disclosed
US-20110086909-A1 SYNTHESIS OF FR901464 AND ANALOGS WITH ANTITUMOR ACTIVITY UNIVERSITY OF PITTSBURGH-- OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2011-04-14 US disclosed
US-20110086909-A1 SYNTHESIS OF FR901464 AND ANALOGS WITH ANTITUMOR ACTIVITY UNIVERSITY OF PITTSBURGH-- OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2011-04-14 US disclosed
US-20110086909-A1 SYNTHESIS OF FR901464 AND ANALOGS WITH ANTITUMOR ACTIVITY UNIVERSITY OF PITTSBURGH-- OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2011-04-14 US disclosed
US-7825267-B2 Synthesis of FR901464 and analogs with antitumor activity UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2010-11-02 US disclosed
US-7825267-B2 Synthesis of FR901464 and analogs with antitumor activity UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2010-11-02 US disclosed
US-7825267-B2 Synthesis of FR901464 and analogs with antitumor activity UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2010-11-02 US disclosed
US-20080096879-A1 SYNTHESIS OF FR901464 AND ANALOGS WITH ANTITUMOR ACTIVITY UNIVERSITY OF PITTSBURGH-- OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2008-04-24 US disclosed
US-20080096879-A1 SYNTHESIS OF FR901464 AND ANALOGS WITH ANTITUMOR ACTIVITY UNIVERSITY OF PITTSBURGH-- OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2008-04-24 US disclosed
US-20080096879-A1 SYNTHESIS OF FR901464 AND ANALOGS WITH ANTITUMOR ACTIVITY UNIVERSITY OF PITTSBURGH-- OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2008-04-24 US disclosed