SCHEMBL10111495

SCHEMBL10111495

COC1CC(C)C(C)C(C=O)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
SCHEMBL14228012 0.74
SCHEMBL14544833 0.74
SCHEMBL14199483 0.74
SCHEMBL14523176 0.74
SCHEMBL10127223 0.72
SCHEMBL19397197 0.69
SCHEMBL25739839 0.69
SCHEMBL12351071 0.68
SCHEMBL13668927 0.68 TSHR (0.37)
SCHEMBL12149657 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9555139-B2 Binding ligand linked drug delivery conjugates of tubulysins ENDOCYTE, INC. (US) 2017-01-31 US disclosed
US-8465724-B2 Multi-drug ligand conjugates ENDOCYTE, INC. (US) 2013-06-18 US disclosed
US-8105568-B2 Vitamin receptor binding drug delivery conjugates ENDOCYTE, INC. (US) 2012-01-31 US disclosed
US-20100048490-A1 BINDING LIGAND LINKED DRUG DELIVERY CONJUGATES OF TUBULYSINS ENDOCYTE, INC. 2010-02-25 US disclosed
US-20100004276-A1 VITAMIN RECEPTOR BINDING DRUG DELIVERY CONJUGATES VLAHOV IONTCHO R 2010-01-07 US disclosed
US-7601332-B2 Minimized toxicity; eliminating pathogenic cell populations; synthesis; claimed intermediates ENDOCYTE, INC. (US) 2009-10-13 US disclosed
US-20080280937-A1 Ligand Conjugates of Vinca Alkaloids, Analogs, and Derivatives ENDOCYTE, INC. 2008-11-13 US disclosed
US-20080248052-A1 Vitamin receptor binding drug delivery conjugate ENDOCYTE, INC. 2008-10-09 US disclosed