SCHEMBL8466932

SCHEMBL8466932

COC(OC)(C(Cl)C(F)(F)F)C(F)(F)F

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL8466995 0.82
SCHEMBL8465779 0.73
SCHEMBL407693 0.65 ALDH1A1 (0.50) ALDH1A1HSD17B10
SCHEMBL3269338 0.65 ALDH1A1 (0.50) ALDH1A1HSD17B10
SCHEMBL6903942 0.61 ALDH1A1 (0.39) ALDH1A1HSD17B10
SCHEMBL25000792 0.59
SCHEMBL9859427 0.59 ALDH1A1 (0.37) ALDH1A1HSD17B10
SCHEMBL11436760 0.59
SCHEMBL2760958 0.59 MEN1 (0.41) ALDH1A1HSD17B10
Methoxyflurane SCHEMBL121229 0.59

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0780362-B1 3,3-Dioxy-4,4,4-trifluorobutyric acid derivatives BAYER AG (DE) 1999-10-20 EP claimed
US-5739394-A 3,3-dioxy-4,4,4-trifluorobutyric acid derivatives BAYER AKTIENGESELLSCHAFT (DE) 1998-04-14 US claimed
EP-0780362-A1 3,3-Dioxy-4,4,4-trifluorobutyric acid derivatives BAYER AG (DE) 1997-06-25 EP claimed
EP-0780362-B1 3,3-Dioxy-4,4,4-trifluorobutyric acid derivatives BAYER AG (DE) 1999-10-20 EP disclosed
US-5739394-A 3,3-dioxy-4,4,4-trifluorobutyric acid derivatives BAYER AKTIENGESELLSCHAFT (DE) 1998-04-14 US disclosed
EP-0780362-A1 3,3-Dioxy-4,4,4-trifluorobutyric acid derivatives BAYER AG (DE) 1997-06-25 EP disclosed