SCHEMBL2010918

SCHEMBL2010918

CC(C)(/N=N/C(C)(C)C(C#N)C(=O)O)C(C#N)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.33
ALDH1A1 P00352 2/20 0.33
TSHR P16473 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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
SCHEMBL2010922 1.00 DPP4 (0.33) DPP4ALDH1A1TSHR
SCHEMBL1336381 0.83 DPP4 (0.36) DPP4ALDH1A1
Bicarbonate SCHEMBL11385004 0.81 DPP4 (0.35) DPP4ALDH1A1
SCHEMBL19391257 0.74 DPP4 (0.31) DPP4ALDH1A1
SCHEMBL11120681 0.74 ALDH1A1 (0.33) DPP4ALDH1A1TSHR
SCHEMBL29956950 0.73 ALDH1A1 (0.33) ALDH1A1
SCHEMBL3766237 0.72 DPP4 (0.39) DPP4
SCHEMBL8508470 0.71 DPP4 (0.33) DPP4
SCHEMBL9638700 0.71
SCHEMBL7053316 0.70 DPP4 (0.34) DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9173949-B2 Dendritic high-molecular-weight polymer drug carriers and their conjugates with drugs especially for treatment of solid tumours USTAV MAKROMOLEKULARNI CHEMIE AV CR, V.V.I. (CZ) 2015-11-03 US disclosed
EP-2512521-B1 DENDRITIC HIGH-MOLECULAR-WEIGHT POLYMER DRUG CARRIERS AND THEIR CONJUGATES WITH DRUGS ESPECIALLY FOR TREATMENT OF SOLID TUMOURS USTAV MAKROMOLEKULARNI CHEMIE (CZ) 2014-02-26 EP disclosed
US-20120296048-A1 Dendritic High-molecular-weight Polymer Drug Carriers and Their Conjugates with Drugs Especially for Treatment of Solid Tumours MIKROBIOLOGICKY USTAV AV CR, V.V.I. (CZ) 2012-11-22 US disclosed
EP-2512521-A2 DENDRITIC HIGH-MOLECULAR-WEIGHT POLYMER DRUG CARRIERS AND THEIR CONJUGATES WITH DRUGS ESPECIALLY FOR TREATMENT OF SOLID TUMOURS Ustav Makromolekularni Chemie AV CR, V.V.I. (CZ) 2012-10-24 EP disclosed
WO-2011072627-A2 DENDRITIC HIGH-MOLECULAR-WEIGHT POLYMER DRUG CARRIERS AND THEIR CONJUGATES WITH DRUGS ESPECIALLY FOR TREATMENT OF SOLID TUMOURS USTAV MAKROMOLEKULARNI CHEMIE AV CR, V.V.I. (CZ) 2011-06-23 WO disclosed