SCHEMBL10142420

SCHEMBL10142420

C#CC(O)(c1ccc2c(N)ncnn12)[C@H](OCCCC)[C@H](OCCCC)[C@H](O)COCCCC

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
SCHEMBL10142095 0.88
SCHEMBL10154160 0.87
SCHEMBL17722697 0.74 KDM4E (0.32)
SCHEMBL10142116 0.73 ALDH1A1 (0.34)
SCHEMBL15998196 0.68 KDM4E (0.32)
SCHEMBL18636595 0.68 KMT2A (0.34)
SCHEMBL29321083 0.65 KDM4E (0.33)
SCHEMBL16710434 0.64
SCHEMBL18667327 0.61 CYP2D6 (0.37)
SCHEMBL8272530 0.58 SPHK1 (0.53)

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
WO-2017049060-A1 METHODS FOR TREATING ARENAVIRIDAE AND CORONAVIRIDAE VIRUS INFECTIONS GILEAD SCIENCES, INC. (US) 2017-03-23 WO disclosed
US-20170071964-A1 METHODS FOR TREATING ARENAVIRIDAE AND CORONAVIRIDAE VIRUS INFECTIONS GILEAD SCIENCES, INC. 2017-03-16 US disclosed
US-20160122356-A1 METHODS FOR THE PREPARATION OF RIBOSIDES GILEAD SCIENCES, INC. 2016-05-05 US disclosed
US-20150152116-A1 METHODS AND COMPOUNDS FOR TREATING PARAMYXOVIRIDAE VIRUS INFECTIONS GILEAD SCIENCES, INC. 2015-06-04 US disclosed
US-20150111839-A1 METHODS AND COMPOUNDS FOR TREATING PARAMYXOVIRIDAE VIRUS INFECTIONS GILEAD SCIENCES, INC. 2015-04-23 US disclosed
EP-2595980-B1 METHODS AND COMPOUNDS FOR TREATING PARAMYXOVIRIDAE VIRUS INFECTIONS GILEAD SCIENCES INC (US) 2014-09-03 EP disclosed
US-20120027752-A1 METHODS AND COMPOUNDS FOR TREATING PARAMYXOVIRIDAE VIRUS INFECTIONS GILEAD SCIENCES, INC. (US) 2012-02-02 US disclosed
WO-2012012776-A1 METHODS AND COMPOUNDS FOR TREATING PARAMYXOVIRIDAE VIRUS INFECTIONS GILEAD SCIENCES, INC. (US) 2012-01-26 WO disclosed