SCHEMBL3859928

SCHEMBL3859928

O=C(O)C(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.37

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
SCHEMBL3867747 0.93 THRB (0.41) THRB
SCHEMBL3869685 0.91 THRB (0.44) THRB
SCHEMBL3861160 0.91 THRB (0.44) THRB
SCHEMBL3865383 0.91 THRB (0.44) THRB
SCHEMBL3860151 0.91 THRB (0.44) THRB
SCHEMBL3861675 0.84
SCHEMBL28332294 0.78 THRB (0.46) THRB
SCHEMBL568947 0.78 ALDH1A1 (0.33) THRB
Hydrochloric Acid SCHEMBL9770255 0.75 LMNA (0.32) THRB
SCHEMBL10440006 0.72 THRB (0.35) THRB

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
US-7595396-B2 Process for preparing polyisocyanates containing iminooxadiazinedione groups BAYER MATERIALSCIENCE AG (DE) 2009-09-29 US disclosed
EP-1645577-B1 Process for preparing polyisocyanates having iminoooxadiazinedione groups BAYER MATERIALSCIENCE AG (DE) 2008-08-20 EP disclosed
US-20060079694-A1 Process for preparing polyisocyanates containing iminooxadiazinedione groups BAYER MATERIALSCIENCE AG 2006-04-13 US disclosed
EP-1645577-A1 Process for preparing polyisocyanates having iminoooxadiazinedione groups Bayer MaterialScience AG (DE) 2006-04-12 EP disclosed