SCHEMBL1752303

SCHEMBL1752303

CSSC(C)(C)CCC(=O)N(C)[C@@H](C)C(=O)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
SCHEMBL4528423 1.00 — —
SCHEMBL14355172 0.89 — —
SCHEMBL21137508 0.87 — —
SCHEMBL26212138 0.87 — —
SCHEMBL14355170 0.86 — —
SCHEMBL20194039 0.85 — —
SCHEMBL20471114 0.85 — —
SCHEMBL20057028 0.81 — —
SCHEMBL21557633 0.81 — —
SCHEMBL19733464 0.80 FOLH1 (0.35) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1651162-B1 IMPROVED CYTOTOXIC AGENTS COMPRISING NEW MAYTANSINOIDS IMMUNOGEN INC (US) 2015-10-21 — — EP claimed
US-7473796-B2 Maytansinoid intermediates: N-alkyl- or aryldithioalkanoylalanines and N-alkanoyl- or aroylthioalkanoylalanines, e.g., N-methyl-N-(4-methyl-4-methyldithio-1-oxopentyl)-alanine; optical isomers and racemic mixtures; preparations from isobutylene sulfide and acetonitrile, methyl methanethiosulfonate, etc. IMMUNOGEN INC. (US) 2009-01-06 — — US claimed
US-20070270585-A1 Maytansinoid intermediates: N-alkyl- or aryldithioalkanoylalanines and N-alkanoyl- or aroylthioalkanoylalanines, e.g., N-methyl-N-(4-methyl-4-methyldithio-1-oxopentyl)-alanine; optical isomers and racemic mixtures; preparations from isobutylene sulfide and acetonitrile, methyl methanethiosulfonate, etc. IMMUNOGEN, INC. (US) 2007-11-22 — — US claimed
EP-3956332-B1 DIASTEROSELECTIVE PROCESS FOR THE PREPARATION OF THIOL- OR DISULFIDE-CONTAINING MAYTANSINOID ESTERS AND INTERMEDIATES THEREOF INDENA SPA (IT) 2023-02-22 — — EP disclosed
US-20220119408-A1 DIASTEROSELECTIVE PROCESS FOR THE PREPARATION OF THIOL- OR DISULFIDE-CONTAINING MAYTANSINOID ESTERS AND INTERMEDIATES THEREOF INDENA S.P.A. (IT) 2022-04-21 — — US disclosed
EP-3851126-A1 MAYTANSINOID-CELL-BINDING AGENT CONJUGATES ImmunoGen, Inc. (US) 2021-07-21 — — EP disclosed
EP-3524611-B1 IMPROVED CYTOTOXIC AGENTS COMPRISING NEW MAYTANSINOIDS IMMUNOGEN INC (US) 2020-12-30 — — EP disclosed
WO-2020212256-A1 DIASTEROSELECTIVE PROCESS FOR THE PREPARATION OF THIOL- OR DISULFIDE-CONTAINING MAYTANSINOID ESTERS AND INTERMEDIATES THEREOF INDENA S.P.A. (IT) 2020-10-22 — — WO disclosed
EP-3524611-A1 IMPROVED CYTOTOXIC AGENTS COMPRISING NEW MAYTANSINOIDS ImmunoGen, Inc. (US) 2019-08-14 — — EP disclosed
US-20180043013-A1 CYTOTOXIC AGENTS COMPRISING NEW MAYTANSINOIDS (DM4) IMMUNOGEN, INC. 2018-02-15 — — US disclosed
US-20170360952-A1 BIOMOLECULE CONJUGATES CELGENE CORPORATION 2017-12-21 — — US disclosed
US-7301019-B2 Method for the preparation of maytansinoid esters IMMUNOGEN, INC. (US) 2007-11-27 — — US disclosed
US-20070270585-A1 Maytansinoid intermediates: N-alkyl- or aryldithioalkanoylalanines and N-alkanoyl- or aroylthioalkanoylalanines, e.g., N-methyl-N-(4-methyl-4-methyldithio-1-oxopentyl)-alanine; optical isomers and racemic mixtures; preparations from isobutylene sulfide and acetonitrile, methyl methanethiosulfonate, etc. IMMUNOGEN, INC. (US) 2007-11-22 — — US disclosed
US-20070269447-A1 CYTOTOXIC AGENTS COMPRISING NEW MAYTANSINOIDS IMMUNOGEN, INC. (US) 2007-11-22 — — US disclosed
US-20070264266-A1 Maytansine derivatives having a sterically hindered thiol or disulfide groups, capable of conjugating to cell-binding agents, to form drugs having improved therapeutic efficacy in animal tumor models; antitumor agents IMMUNOGEN INC. (US) 2007-11-15 — — US disclosed
US-7276497-B2 For therapy of tumors IMMUNOGEN INC. 2007-10-02 — — US disclosed
US-20060167245-A1 Method for the preparation of maytansinoid esters IMMUNOGEN, INC. 2006-07-27 — — US disclosed
EP-1651162-A2 IMPROVED CYTOTOXIC AGENTS COMPRISING NEW MAYTANSINOIDS Immunogen, Inc. (US) 2006-05-03 — — EP disclosed
WO-2004103272-A2 IMPROVED CYTOTOXIC AGENTS COMPRISING NEW MAYTANSINOIDS IMMUNOGEN, INC. (US) 2004-12-02 — — WO disclosed
US-20040235840-A1 For therapy of tumors IMMUNOGEN, INC. 2004-11-25 — — US disclosed
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