SCHEMBL29793975

SCHEMBL29793975

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

nearest known ligand 0.42

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL11535362 0.95 ALDH1A1 (0.42) ALDH1A1
SCHEMBL21056622 0.93 ALDH1A1 (0.39) ALDH1A1
SCHEMBL236894 0.93 ALDH1A1 (0.41) ALDH1A1
SCHEMBL10955252 0.91 ALDH1A1 (0.40) ALDH1A1
Hydrogen Peroxide SCHEMBL28820909 0.91 ALDH1A1 (0.40) ALDH1A1
Methane SCHEMBL21065618 0.91 ALDH1A1 (0.40) ALDH1A1
SCHEMBL9443591 0.90 ALDH1A1 (0.40) ALDH1A1
SCHEMBL10503902 0.89 ALDH1A1 (0.37) ALDH1A1
SCHEMBL12521517 0.89 ALDH1A1 (0.39) ALDH1A1
SCHEMBL11538430 0.89 ALDH1A1 (0.46) 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
CN-109607507-B Method for preparing carbonyl fluoride by cracking perfluorinated compounds and carbonyl fluoride 天津市长芦化工新材料有限公司 2022-07-15 CN disclosed