SCHEMBL11626641

SCHEMBL11626641

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

nearest known ligand 0.37

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 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
SCHEMBL11547630 1.00 ALDH1A1 (0.37) ALDH1A1
SCHEMBL11642281 1.00 ALDH1A1 (0.37) ALDH1A1
SCHEMBL1607957 0.91 ALDH1A1 (0.37) ALDH1A1
SCHEMBL11547476 0.89 ALDH1A1 (0.42) ALDH1A1
SCHEMBL983173 0.86 ALDH1A1 (0.36) ALDH1A1
SCHEMBL30818042 0.86 ALDH1A1 (0.36) ALDH1A1
SCHEMBL30818041 0.86 ALDH1A1 (0.36) ALDH1A1
SCHEMBL3217391 0.86 ALDH1A1 (0.36) ALDH1A1
SCHEMBL20543318 0.86 ALDH1A1 (0.36) ALDH1A1
SCHEMBL3475062 0.86 ALDH1A1 (0.36) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4067884-A Fluorine containing ketones HOECHST AKTIENGESELLSCHAFT (DT) 1978-01-10 US disclosed