SCHEMBL704537

SCHEMBL704537

CC(C)(CN)CC(=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
Hydrochloric Acid SCHEMBL3080866 0.97 KDM4E (1.00)
SCHEMBL14314268 0.87 KDM4E (0.74)
SCHEMBL10076899 0.87 KDM4E (0.74)
SCHEMBL48109 0.82 KDM4E (0.65)
SCHEMBL30854909 0.82 KDM4E (0.65)
SCHEMBL17232567 0.82 KDM4E (0.65)
SCHEMBL28091312 0.80 KDM4E (0.62)
Hydrochloric Acid SCHEMBL5406891 0.79 KDM4E (0.70)
SCHEMBL6733907 0.79 KDM4E (0.62)
SCHEMBL11439787 0.79 KDM4E (0.62)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113791057-B Perfluoro compound high-throughput screening method based on fluorescent sensor array 南京大学 2022-08-19 CN claimed
CN-108349960-B Nostoc compounds and conjugates, their preparation and their therapeutic use 赛诺菲 2022-05-27 CN claimed
US-20210163458-A1 NOVEL CRYPTOPHYCIN COMPOUNDS AND CONJUGATES, THEIR PREPARATION AND THEIR THERAPEUTIC USE SANOFI SA (FR) 2021-06-03 US claimed
US-11007275-B2 Cryptophycin antibody conjugates for the treatment of cancer SANOFI (FR) 2021-05-18 US claimed
US-20210023094-A1 PSMA ANTIBODY-DRUG CONJUGATES PSMA DEVELOPMENT COMPANY, LLC (US) 2021-01-28 US claimed
EP-3371179-B1 NOVEL CRYPTOPHYCIN COMPOUNDS AND CONJUGATES, THEIR PREPARATION AND THEIR THERAPEUTIC USE SANOFI SA (FR) 2019-08-07 EP claimed
EP-3371179-A1 NOVEL CRYPTOPHYCIN COMPOUNDS AND CONJUGATES, THEIR PREPARATION AND THEIR THERAPEUTIC USE SANOFI (FR) 2018-09-12 EP claimed
WO-2017076998-A1 NOVEL CRYPTOPHYCIN COMPOUNDS AND CONJUGATES, THEIR PREPARATION AND THEIR THERAPEUTIC USE SANOFI (FR) 2017-05-11 WO claimed
CN-102482238-B Conjugates, process for their preparation and their therapeutic use SAI NUOFEI (FR) 2015-08-12 CN claimed
EP-2727606-A2 Compounds for killing psma-expressing, taxane-resistant cancer cells Psma Development Company, L.L.C. (US) 2014-05-07 EP claimed
EP-1718667-A4 HETEROCYCLIC SELF-IMMOLATIVE LINKERS AND CONJUGATES GENENTECH INC (US) 2009-04-08 EP claimed
US-20090041791-A1 Heterocyclic self-immolative Linkers and Conjugates SEAGEN INC. 2009-02-12 US claimed
EP-1912677-A2 PSMA ANTIBODY-DRUG CONJUGATES Psma Development Company, L.L.C. (US) 2008-04-23 EP claimed
WO-2007002222-A2 PSMA ANTIBODY-DRUG CONJUGATES PSMA DEVELOPMENT COMPANY, LLC (US) 2007-01-04 WO claimed
EP-1718667-A2 HETEROCYCLIC SELF-IMMOLATIVE LINKERS AND CONJUGATES GENENTECH, INC. (US) 2006-11-08 EP claimed
US-20050256030-A1 for linking drug moieties to ligands; comprises a peptide sequence that is a substrate for an intracellular enzyme, for example a cathepsin, that cleaves the peptide at an amide bond SEAGEN INC. 2005-11-17 US claimed
WO-2005082023-A2 HETEROCYCLIC SELF-IMMOLATIVE LINKERS AND CONJUGATES GENENTECH, INC. (US) 2005-09-09 WO claimed
EP-0624377-B1 Lysosomal enzyme-cleavable antitumor drug conjugates BRISTOL MYERS SQUIBB CO (US) 2002-01-23 EP claimed
US-6214345-B1 ANTITUMOR AGENTS; DRUG CONJUGATES WHICH ARE SELECTIVELY ACTIVATIBLE AT THE SITE OF THE TUMOR BRISTOL-MYERS SQUIBB CO. 2001-04-10 US claimed
EP-0624377-A2 Lysosomal enzyme-cleavable antitumor drug conjugates Bristol-Myers Squibb Company (US) 1994-11-17 EP claimed