SCHEMBL13815296

SCHEMBL13815296

CCN1CCN(C)CC(F)(F)C1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
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
SCHEMBL11991761 0.81 DRD4 (0.30)
SCHEMBL683603 0.78
Hydrochloric Acid SCHEMBL2773837 0.76
SCHEMBL24322203 0.75 TSHR (0.30) TSHR
SCHEMBL7859519 0.75
SCHEMBL25695115 0.74 ALDH1A1 (0.33)
SCHEMBL24319335 0.74 NCF1 (0.38)
SCHEMBL22301817 0.71 TSHR (0.32) TSHR
SCHEMBL684397 0.71 TSHR (0.36) TSHR
SCHEMBL81189 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8912182-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-16 US disclosed
US-8476257-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-02 US disclosed
WO-2009076747-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-25 WO disclosed