SCHEMBL7567947

SCHEMBL7567947

CC(=O)OCC(I)CC(F)(F)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL28460333 0.88 TDP1 (0.36) TDP1
SCHEMBL28446773 0.86 TDP1 (0.35) TDP1
SCHEMBL773827 0.85 TDP1 (0.43) TDP1ALDH1A1LMNAHSD17B10
SCHEMBL799024 0.84 TDP1 (0.38) TDP1ALDH1A1LMNAHSD17B10
SCHEMBL30193522 0.82 TDP1 (0.33) TDP1
SCHEMBL6270149 0.79 TDP1 (0.37) TDP1ALDH1A1LMNAHSD17B10
SCHEMBL12246481 0.74
SCHEMBL774612 0.74 TDP1 (0.37) TDP1
SCHEMBL799034 0.73 TDP1 (0.33) TDP1
SCHEMBL4321338 0.72 TDP1 (0.35) TDP1

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
EP-0909749-B1 Process for the preparation of pentafluoropentanol BAYER AG (DE) 2002-08-28 EP disclosed
US-6002053-A Process for preparing pentafluoropentanol BAYER AKTIENGESELLSCHAFT (DE) 1999-12-14 US disclosed
EP-0909749-A1 Process for the preparation of pentafluoropentanol BAYER AG (DE) 1999-04-21 EP disclosed