SCHEMBL29037019

SCHEMBL29037019

O=C(O)CC(=O)CCC1(C(F)(F)F)CC1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 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
SCHEMBL16028458 0.84 LMNA (0.35) DGAT1
SCHEMBL26829643 0.73 TSHR (0.44)
SCHEMBL21244722 0.72 DGAT1 (0.32) DGAT1
SCHEMBL16877059 0.70 CYP2C19 (0.38) DGAT1
SCHEMBL21244607 0.68 LMNA (0.32)
SCHEMBL23194516 0.68
SCHEMBL21245185 0.67 ACLY (0.31) DGAT1
SCHEMBL31124647 0.67 CYP1A2 (0.40)
SCHEMBL28499103 0.67 SLC22A6 (0.46)
SCHEMBL28017992 0.66 EGLN1 (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117285547-A Macrocyclic compounds as modulators of CFTR, pharmaceutical compositions thereof, their use and methods of preparation 弗特克斯药品有限公司 2023-12-26 CN disclosed
CN-112004817-B Macrocyclic compounds as modulators of CFTR, pharmaceutical compositions thereof, their use and methods of preparation 弗特克斯药品有限公司 2023-06-23 CN disclosed