SCHEMBL3545819

SCHEMBL3545819

CSSCCCC(=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
SCHEMBL6104479 0.93 LMNA (0.52)
SCHEMBL2722289 0.91 TSHR (0.55)
SCHEMBL7261781 0.91 TSHR (0.55)
SCHEMBL384401 0.87
SCHEMBL225702 0.84 TSHR (0.71)
SCHEMBL94565 0.84 TSHR (0.71)
SCHEMBL23046863 0.81 TSHR (0.77)
SCHEMBL18313750 0.80
SCHEMBL154914 0.79
SCHEMBL4459033 0.79 TSHR (0.55)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11834406-B2 Conjugates of cell binding molecules with cytotoxic agents HANGZHOU DAC BIOTECH CO., LTD. (CN) 2023-12-05 US disclosed
US-11767294-B2 Conjugates of cell binding molecules with cytotoxic agents HANGZHOU DAC BIOTECH CO., LTD. (CN) 2023-09-26 US disclosed
US-20190330149-A1 CONJUGATES OF CELL BINDING MOLECULES WITH CYTOTOXIC AGENTS HANGZHOU DAC BIOTECH CO., LTD. (CN) 2019-10-31 US disclosed
US-7781488-B2 convergent assembly of a plurality of pairs of oligopeptides; stable C-terminal disulfide-protected carboxythioester group that can be deprotected to spontaneously generate a free C-terminal thioester; allows a single precursor to participate in a succession of chemical ligation reactions AMYLIN PHARMACEUTICALS, INC. (US) 2010-08-24 US disclosed
US-7667054-B2 chemically linking the taxane to a cell binding agent such as monoclonal antibody for tumor antigen; taxane has extra ether bridge group, and chemical group for conjugation such as mercapto AVENTIS PHARMA S.A. (FR) 2010-02-23 US disclosed
US-7598290-B2 Cytotoxic agents comprising new C-2 modified taxanes IMMUNOGEN, INC. (US) 2009-10-06 US disclosed
US-20070270482-A1 Cytotoxic Agents Comprising New C-2 Modified Taxanes AVENTIS PHARMA S.A. (FR) 2007-11-22 US disclosed
EP-1824858-A2 CYTOTOXIC AGENTS COMPRISING NEW TAXANES Aventis Pharma S.A. (FR) 2007-08-29 EP disclosed
EP-1819687-A2 CYTOTOXIC AGENTS COMPRISING NEW C-2 MODIFIED TAXANES Aventis Pharma S.A. (FR) 2007-08-22 EP disclosed
US-20070059792-A1 convergent assembly of a plurality of pairs of oligopeptides; stable C-terminal disulfide-protected carboxythioester group that can be deprotected to spontaneously generate a free C-terminal thioester; allows a single precursor to participate in a succession of chemical ligation reactions ASTRAZENECA PHARMACEUTICALS LP 2007-03-15 US disclosed
EP-1313738-A1 PROCESS FOR THE PREPARATION AND PURIFICATION OF THIOL-CONTAINING MAYTANSINOIDS Immunogen, Inc. (US) 2003-05-28 EP disclosed
EP-1259482-A2 SULFUR CONTAINING COMPOUNDS University Health Network (CA) 2002-11-27 EP disclosed
WO-2002016368-A1 PROCESS FOR THE PREPARATION AND PURIFICATION OF THIOL-CONTAINING MAYTANSINOIDS IMMUNOGEN, INC. (US) 2002-02-28 WO disclosed
US-6333410-B1 REDUCTIVE HYDROLYSIS OF C3 ESTER WITH LITHIUM TRIMETHOXYALUMINUM HYDRIDE TO YIELD THE MANTANSINOL; ESTERIFYING THE A DISULFIDE-CONTAINING CARBOXYLIC ACID; REDUCING TO YIELD A THIOL-CONTAINING MAYTANSINOID IMMUNOGEN, INC. 2001-12-25 US disclosed
WO-2001062668-A2 SULFUR CONTAINING COMPOUNDS UNIVERSITY HEALTH NETWORK (CA) 2001-08-30 WO disclosed
EP-0425235-B1 Cytotoxic agents comprising maytansinoids and their therapeutic use IMMUNOGEN INC (US) 1996-09-25 EP disclosed
US-5416064-A Antitumor agents IMMUNOGEN, INC. (US) 1995-05-16 US disclosed
US-5208020-A Cytotoxic agents comprising maytansinoids and their therapeutic use IMMUNOGEN INC. (US) 1993-05-04 US disclosed
EP-0425235-A2 Cytotoxic agents comprising maytansinoids and their therapeutic use IMMUNOGEN INC (US) 1991-05-02 EP disclosed
EP-0232075-B1 INSECTICIDAL N'-SUBSTITUTED-N-ALKYLCARBONYL-N'-ACYL HYDRAZINES ROHM AND HAAS COMPANY (US) 1991-03-13 EP disclosed