SCHEMBL10142123

SCHEMBL10142123

CCCCOC[C@H]1OC(C)(c2ccc3c(N)ncnn23)[C@H](OCCCC)[C@@H]1OCCCC

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
SCHEMBL4975532 0.90 — —
SCHEMBL10143786 0.89 — —
SCHEMBL10142421 0.89 — —
SCHEMBL12454580 0.86 — —
SCHEMBL25822058 0.86 — —
SCHEMBL12454579 0.86 — —
SCHEMBL17722725 0.86 — —
SCHEMBL17215194 0.86 — —
SCHEMBL17722654 0.86 TMPRSS2 (0.34) —
SCHEMBL10142084 0.86 TMPRSS2 (0.34) —

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
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