SCHEMBL30900641

SCHEMBL30900641

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

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
THRB P10828 1/20 0.31

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
SCHEMBL30900633 1.00 ALDH1A1 (0.37) ALDH1A1THRB
SCHEMBL25939615 0.94 ALDH1A1 (0.39) ALDH1A1
SCHEMBL30900631 0.91 ALDH1A1 (0.33) ALDH1A1
SCHEMBL30900639 0.87 ALDH1A1 (0.34) ALDH1A1
SCHEMBL593298 0.81 ALDH1A1 (0.40) ALDH1A1THRB
SCHEMBL22142472 0.81 ALDH1A1 (0.40) ALDH1A1THRB
SCHEMBL8471014 0.79 ALDH1A1 (0.39) ALDH1A1
SCHEMBL11663146 0.78 ALDH1A1 (0.39) ALDH1A1THRB
SCHEMBL27571394 0.78 ALDH1A1 (0.33) ALDH1A1
SCHEMBL29703165 0.78 ALDH1A1 (0.34) 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
WO-2024111488-A1 METHOD FOR PRODUCING FLUORINE-CONTAINING ESTER COMPOUND, AND COMPOSITION AGC株式会社 2024-05-30 WO disclosed