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SCHEMBL28295358

SCHEMBL28295358

C(COCC1CO1)OCC1CO1.NC(=O)NC(=O)N(CC1CO1)CC1CO1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ TP53 P04637 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ MAPK1 P28482 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
SCHEMBL28114446 0.90 ALDH1A1 (0.31) ALDH1A1TP53CYP3A4
SCHEMBL10705963 0.75 TSHR (0.50) TSHRSMN1; SMN2ALDH1A1TDP1TP53
Oxalic Acid SCHEMBL6025318 0.72 TSHR (0.60) TSHRSMN1; SMN2ALDH1A1TDP1TP53
SCHEMBL22418810 0.71 TSHR (0.79) TSHRSMN1; SMN2ALDH1A1TDP1TP53
SCHEMBL20094 0.71 TSHR (0.79) TSHRSMN1; SMN2ALDH1A1TDP1TP53
SCHEMBL17197994 0.71 TSHR (0.79) TSHRSMN1; SMN2ALDH1A1TDP1TP53
SCHEMBL16684221 0.71 TSHR (0.79) TSHRSMN1; SMN2ALDH1A1TDP1TP53
Acetic Acid SCHEMBL27674601 0.70 TSHR (0.58) TSHRSMN1; SMN2ALDH1A1TDP1TP53
Carbamic Acid SCHEMBL27463719 0.69 TSHR (0.50) TSHRSMN1; SMN2ALDH1A1TDP1TP53
SCHEMBL23417046 0.69 TSHR (0.63) TSHRSMN1; SMN2ALDH1A1TDP1TP53

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-109804306-A Light orientation copolymer material 罗利克技术有限公司 2019-05-24 — — CN disclosed