SCHEMBL28698481

SCHEMBL28698481

CCCCCCOc1cc2sccc2s1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.38
TSHR P16473 2/20 0.37
GPR35 Q9HC97 2/20 0.37
ALDH1A1 P00352 2/20 0.34
TP53 P04637 2/20 0.34
PLA2G2A P14555 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 2/20 0.34
LTA4H P09960 2/20 0.33
PLA2G4B P0C869 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
TLR8 Q9NR97 1/20 0.33

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
SCHEMBL5041354 0.81 GPR35 (0.39) TSHRGPR35ALDH1A1TP53GAA
SCHEMBL12278126 0.80 TSHR (0.33) NR5A1TSHRGPR35ALDH1A1TP53
SCHEMBL38660480 0.79 GPR35 (0.32) GPR35ALDH1A1GAA
SCHEMBL28794979 0.77 ALDH1A1 (0.38) TSHRALDH1A1
SCHEMBL12278262 0.75 NR5A1 (0.39) NR5A1TSHRALDH1A1TP53PLA2G2A
SCHEMBL28621711 0.75 TLR8 (0.46) TSHRALDH1A1LTA4HRAB9ATLR8
SCHEMBL3477849 0.73 GPR35 (0.44) TSHRGPR35ALDH1A1TP53GAA
SCHEMBL12269125 0.72 NR5A1 (0.36) NR5A1TSHRTP53PLA2G2ATLR8
SCHEMBL23510110 0.71 GPR35 (0.42) TSHRGPR35ALDH1A1TP53GAA
SCHEMBL5039563 0.71 GPR35 (0.42) TSHRGPR35ALDH1A1GAA

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
CN-114316219-B Polymer with electrochromic and thermochromic properties as well as preparation method and application thereof 北京大学深圳研究生院 2023-11-28 CN disclosed
CN-114163617-B Thermochromic polymer material and application thereof 北京高德品创科技有限公司 2022-05-06 CN disclosed
CN-114316219-A Polymer with electrochromic and thermochromic performances as well as preparation method and application thereof 北京大学深圳研究生院 2022-04-12 CN disclosed
CN-114163617-A Thermochromic polymer material and application thereof 北京高德品创科技有限公司 2022-03-11 CN disclosed