SCHEMBL28678100

SCHEMBL28678100

C=C(C)C(=O)OC(F)(F)C(F)CC(F)(F)F.CC(C)C(=O)OCC(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.37
TSHR P16473 1/20 0.35

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
SCHEMBL216127 0.87 TSHR (0.36) TSHR
SCHEMBL31265194 0.83 TSHR (0.33) HTTTSHR
Methacrylic Acid SCHEMBL28063227 0.83 TSHR (0.33) TSHR
Alcohol SCHEMBL28215508 0.83 TSHR (0.33) TSHR
SCHEMBL29019014 0.81 ALDH1A1 (0.47) TSHR
Acrylic Acid SCHEMBL28280460 0.79 TSHR (0.31) TSHR
SCHEMBL31265173 0.78
SCHEMBL28116628 0.78 TSHR (0.30) TSHR
SCHEMBL31155812 0.78 TSHR (0.30) TSHR
SCHEMBL28569214 0.77 HTT (0.32) HTT

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-110408009-B Hole transport layer for improving stability of perovskite solar cell and preparation method thereof 常州大学 2021-11-23 CN claimed