SCHEMBL28900508

SCHEMBL28900508

C(OCC1CO1)C1CO1.OCCCC(O)CC1CO1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.36
MAPK1 P28482 1/20 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
SCHEMBL30766147 0.89 PTPN1 (0.33)
SCHEMBL29093374 0.86 TSHR (0.42) TSHRALDH1A1SMN1; SMN2TDP1MAPK1
SCHEMBL16424568 0.85 ALDH1A1 (0.47) TSHRALDH1A1SMN1; SMN2TDP1MAPK1
Glycerin SCHEMBL27784241 0.84 TSHR (0.38) TSHRALDH1A1SMN1; SMN2TDP1MAPK1
SCHEMBL16424048 0.83 ALDH1A1 (0.54) TSHRALDH1A1SMN1; SMN2TDP1MAPK1
SCHEMBL16423692 0.83 SMN1; SMN2 (0.47) TSHRALDH1A1SMN1; SMN2TDP1MAPK1
SCHEMBL15716783 0.83 TSHR (0.42) TSHRALDH1A1SMN1; SMN2TDP1MAPK1
SCHEMBL16424049 0.82 ALDH1A1 (0.51) TSHRALDH1A1SMN1; SMN2TDP1
Butane SCHEMBL28029666 0.82 ALDH1A1 (0.49) TSHRALDH1A1SMN1; SMN2TDP1MAPK1
SCHEMBL16424102 0.81 ALDH1A1 (0.54) TSHRALDH1A1SMN1; SMN2TDP1

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-108476604-B Conductive compositions for low frequency EMI shielding 汉高股份有限及两合公司 2020-11-03 CN claimed