SCHEMBL9501362

SCHEMBL9501362

COC(=O)C(F)(F)C(F)(F)C(C)(F)F

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.39
ALDH1A1 P00352 2/20 0.34
KCNN4 O15554 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 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
SCHEMBL25496806 0.91 DGAT1 (0.37) DGAT1ALDH1A1
SCHEMBL496922 0.91 DGAT1 (0.37) DGAT1ALDH1A1
SCHEMBL517272 0.87 DGAT1 (0.39) DGAT1ALDH1A1KCNN4MEN1LMNA
SCHEMBL497763 0.87 DGAT1 (0.39) DGAT1ALDH1A1KCNN4MEN1LMNA
SCHEMBL11205420 0.84 THRB (0.40) DGAT1ALDH1A1KCNN4
SCHEMBL672362 0.84 THRB (0.40) DGAT1ALDH1A1KCNN4
SCHEMBL3082673 0.84 THRB (0.40) DGAT1ALDH1A1KCNN4
SCHEMBL517251 0.84 THRB (0.40) DGAT1ALDH1A1KCNN4
SCHEMBL2492481 0.82 ALDH1A1 (0.39) DGAT1ALDH1A1KCNN4MEN1LMNA
SCHEMBL517250 0.81 ALDH1A1 (0.45) DGAT1ALDH1A1KCNN4MEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9719125-B2 Sampling devices and methods for concentrating microorganisms 3M INNOVATIVE PROPERTIES COMPANY (US) 2017-08-01 US disclosed
EP-0327070-B1 FLUOROCARBON CHAIN-CONTAINING ANTIGENIC CONJUGATES BIOMIRA, INC. (CA) 1993-05-05 EP disclosed
US-5055562-A Haptens linked to protein carriers BIOMIRA, INC. (CA) 1991-10-08 US disclosed
EP-0327070-A1 Fluorocarbon chain-containing antigenic conjugates BIOMIRA, INC. (CA) 1989-08-09 EP disclosed