SCHEMBL29010442

SCHEMBL29010442

C12C3C4C5C1[Fe]23451678C2C1C6C7C28.C=C(C)C(=O)OC(C)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
ALDH1A1 P00352 2/20 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
SCHEMBL526912 0.88 TSHR (0.45) TSHRALDH1A1
SCHEMBL9842552 0.88 TSHR (0.45) TSHRALDH1A1
Methyl Alcohol SCHEMBL28174876 0.86 TSHR (0.43) TSHRALDH1A1
Ammonia Solution, Strong SCHEMBL18138980 0.86 TSHR (0.43) TSHRALDH1A1
SCHEMBL28140014 0.82 TSHR (0.41) TSHRALDH1A1
Ethylene Glycol SCHEMBL2466490 0.81 TSHR (0.44) TSHRALDH1A1
Phosphoric Acid SCHEMBL6046347 0.81 TSHR (0.39) TSHRALDH1A1
1,4-Butanediol SCHEMBL2463284 0.78 TSHR (0.41) TSHRALDH1A1
SCHEMBL8939198 0.76 TSHR (0.36) TSHRALDH1A1
SCHEMBL2462877 0.76 TSHR (0.40) TSHRALDH1A1

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-116036311-B Self-adaptive thermal therapy supermolecular material and application thereof 四川大学 2024-01-30 CN disclosed
CN-116036311-A Self-adaptive thermal therapy supermolecular material and application thereof 四川大学 2023-05-02 CN disclosed