SCHEMBL10157944

SCHEMBL10157944

CCc1ccc2c(c1Cl)CC(F)(F)CO2

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CTRC Q99895 1/20 0.31

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
SCHEMBL13038551 0.83
SCHEMBL13868757 0.80
SCHEMBL13038773 0.72 HTR2C (0.38) CTRC
SCHEMBL10157962 0.70 HTR2C (0.41)
SCHEMBL12658946 0.67 CTRC (0.48) CTRC
SCHEMBL15011763 0.67
SCHEMBL12650609 0.66
SCHEMBL10157942 0.66 PARP1 (0.41)
SCHEMBL14370481 0.65 AOC3 (0.42) CTRC
SCHEMBL13861827 0.61 MAP3K14 (0.34) CTRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2220095-B1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION GILEAD SCIENCES INC (US) 2013-01-02 EP disclosed
EP-2220076-B1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGELHEIM INT (DE) 2012-01-18 EP disclosed
WO-2009062285-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-22 WO disclosed
WO-2009062308-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-22 WO disclosed