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SCHEMBL28236013

SCHEMBL28236013

CCC(CC(C(=O)OCC(C)C)C(=O)OCC(C)C)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.35
▸ SLC6A2 P23975 1/20 0.30
▸ SLC6A4 P31645 1/20 0.30
▸ SLC6A3 Q01959 1/20 0.30

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
SCHEMBL28237178 0.84 ALDH1A1 (0.37) TSHRALDH1A1
SCHEMBL28235997 0.80 TSHR (0.41) TSHRSMN1; SMN2ALDH1A1SLC6A2SLC6A4
SCHEMBL28862574 0.80 TSHR (0.41) TSHRSMN1; SMN2ALDH1A1SLC6A2SLC6A4
SCHEMBL15878757 0.79 TSHR (0.46) TSHRSMN1; SMN2ALDH1A1
SCHEMBL9158029 0.79 TSHR (0.46) TSHRSMN1; SMN2ALDH1A1
SCHEMBL28236035 0.78 TSHR (0.42) TSHRSMN1; SMN2ALDH1A1
SCHEMBL9364109 0.76 TSHR (0.41) TSHRSMN1; SMN2ALDH1A1
SCHEMBL28236011 0.74 TSHR (0.38) TSHRSMN1; SMN2ALDH1A1SLC6A2SLC6A4
SCHEMBL27630952 0.74 TSHR (0.47) TSHRSMN1; SMN2ALDH1A1
SCHEMBL5526861 0.74 TSHR (0.42) TSHRSMN1; SMN2ALDH1A1

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-108473612-A The manufacturing method of solid catalyst component for olefin polymerization, polymerization of olefines catalyst and olefin polymer 东邦钛株式会社 2018-08-31 — — CN disclosed