SCHEMBL29627980

SCHEMBL29627980

CC(C)(C)c1ccccc1[I+]c1ccccc1C(C)(C)C.Fc1c(F)c(F)c([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CA2 P00918 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
SCHEMBL533855 1.00 ALDH1A1 (0.34) ALDH1A1TSHRTDP1CA2
SCHEMBL216497 0.81 ALDH1A1 (0.48) ALDH1A1TSHRTDP1CA2
SCHEMBL29851795 0.81 ALDH1A1 (0.48) ALDH1A1TSHRTDP1CA2
Hydrochloric Acid SCHEMBL6262076 0.79 ALDH1A1 (0.46) ALDH1A1TSHRTDP1CA2
Iodide SCHEMBL2968442 0.79 ALDH1A1 (0.46) ALDH1A1TSHRTDP1CA2
Water SCHEMBL107595 0.79 ALDH1A1 (0.46) ALDH1A1TSHRTDP1CA2
SCHEMBL29730022 0.77 ALDH1A1 (0.41) ALDH1A1TSHRTDP1CA2
SCHEMBL9312855 0.77 ALDH1A1 (0.41) ALDH1A1TSHRTDP1CA2
SCHEMBL30248741 0.77 ALDH1A1 (0.35) ALDH1A1TSHRTDP1CA2
SCHEMBL1477598 0.77 ALDH1A1 (0.35) ALDH1A1TSHRTDP1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116324620-A Lithographic printing plate precursor 爱克发胶印有限公司 2023-06-23 CN disclosed
CN-115989455-A Lithographic printing plate precursor 爱克发胶印有限公司 2023-04-18 CN disclosed
CN-112188963-B Lithographic printing plate precursor 爱克发胶印有限公司 2023-04-04 CN disclosed
CN-115697708-A Lithographic printing plate precursor 爱克发胶印有限公司 2023-02-03 CN disclosed
CN-115666949-A Lithographic printing plate precursor 爱克发胶印有限公司 2023-01-31 CN disclosed
CN-111655504-B Original plate of on-press development type lithographic printing plate and pseudo plate of on-press development type lithographic printing plate 富士胶片株式会社 2022-05-03 CN disclosed